1,2-Dichloroethane → methyl (+/-)-1-acetyl-7-[[(6-amino-2-pyridinyl)amino]carbonyl]-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2-acetate

HRID 2325255Notes

Reaction equation

HRID 2325255 reaction equation
[C:16]([CH3:17])(=[O:18])[N:19]1[CH:20]([CH2:35][C:36](=[O:37])[O:38][CH3:39])[C:21](=[O:34])[N:22]([CH3:33])[CH2:23][c:24]2[c:25]1[cH:26][cH:27][c:28]([C:30](=[O:31])[OH:32])[cH:29]2.[CH2:12]([Cl:13])[CH2:14][Cl:15].[NH2:40][c:41]1[n:42][c:43]([NH2:47])[cH:44][cH:45][cH:46]1.[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:11].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1>>[C:16]([CH3:17])(=[O:18])[N:19]1[CH:20]([CH2:35][C:36](=[O:37])[O:38][CH3:39])[C:21](=[O:34])[N:22]([CH3:33])[CH2:23][c:24]2[c:25]1[cH:26][cH:27][c:28]([C:30](=[O:31])[NH:40][c:41]1[n:42][c:43]([NH2:47])[cH:44][cH:45][cH:46]1)[cH:29]2

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 962WaterHCID 6228DimethylformamideHCID 88612,6-DiaminopyridineHCID 757711-HydroxybenzotriazoleHCID 86758535HCID 86758535, compound

Product 1

HCID 57102414methyl (+/-)-1-acetyl-7-[[(6-amino-2-pyridinyl)amino]carbonyl]-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2-acetate

Sources & evidence

ORD record
ord-3f750975979248e58903dd1c9e2de5ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…