diff --git a/cdkdepict-lib/src/main/resources/org/openscience/cdk/app/reagent_abbr.smi b/cdkdepict-lib/src/main/resources/org/openscience/cdk/app/reagent_abbr.smi index e4ca79a..e0ec1db 100644 --- a/cdkdepict-lib/src/main/resources/org/openscience/cdk/app/reagent_abbr.smi +++ b/cdkdepict-lib/src/main/resources/org/openscience/cdk/app/reagent_abbr.smi @@ -46,6 +46,8 @@ O=S1(O[Cu]O1)=O CuSO4 [O-]S([O-])(=O)=O.[Cu+2] CuSO4 O=C(O[Cu])c1cccs1 CuTC O=C([O-])c1cccs1.[Cu+] CuTC +C1CCCCC1 C6H12 +C1C=CC=C1 cp CCN(CC)S(F)(F)F DAST C1CN=C2CCCCCN2C1 DBU C(=NC1CCCCC1)=NC1CCCCC1 DCC @@ -156,6 +158,7 @@ C[Mg]Br MeMgBr [Br-].C[Mg+] MeMgBr CN MeNH2 CO MeOH +COC(C)(C)C MTBE Cl[Mg]Cl MgCl2 [Cl-].[Cl-].[Mg+2] MgCl2 O=S1(O[Mg]O1)=O MgSO4 @@ -324,4 +327,4 @@ NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H] NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O NAD+ CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 Acetyl-CoA CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS CoA -CC(=O)C([O-])=O pyruvate \ No newline at end of file +CC(=O)C([O-])=O pyruvate