Acetate → HCID 12317882, compound

HRID 199518Notes

Reaction equation

HRID 199518 reaction equation
[C:29]([O-:30])(=[O:31])[CH3:32].[CH3:38][OH:39].[Cl-:36].[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH2:10][c:11]3[n:12]([c:22]([CH3:25])[n:23][n:24]3)-[c:13]3[c:14]2[cH:15][c:16]([N+:19](=[O:20])[O-:21])[cH:17][cH:18]3)[cH:4][cH:5][cH:6][cH:7]1.[NH3:37].[Na+:33].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH2:26].[OH2:27].[OH2:28].[OH2:34].[OH2:35]>>[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH2:10][c:11]3[n:12]([c:22]([CH3:25])[n:23][n:24]3)-[c:13]3[c:14]2[cH:15][c:16]([NH:19][OH:20])[cH:17][cH:18]3)[cH:4][cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 175AcetateHCID 222AmmoniaHCID 312ChlorideHCID 887MethanolHCID 923Sodium ionHCID 962Water5×HCID 8028TetrahydrofuranHCID 12317881Clonazolam

Product 1

HCID 12317882HCID 12317882, compound

Sources & evidence

ORD record
ord-e09352dd6f10411080efedcfae316f5f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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