Ethanol → 3-(4-Oxo-7-pyrrol-1-yl-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)-benzonitrile

HRID 1210564Notes

Reaction equation

HRID 1210564 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:9]([CH2:10][C:11](=[O:12])[NH:13][c:14]2[c:15]([N+:25]([O-:27])=[O:28])[cH:16][cH:17][c:18](-[n:20]3[cH:21][cH:22][cH:23][cH:24]3)[cH:19]2)=[O:26])[cH:6][cH:7][cH:8]1.[CH3:29][CH2:30][OH:31]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:9]2=[N:25][c:15]3[c:14]([cH:19][c:18](-[n:20]4[cH:21][cH:22][cH:23][cH:24]4)[cH:17][cH:16]3)[NH:13][C:11](=[O:12])[CH2:10]2)[cH:6][cH:7][cH:8]1

Participants

3

Reactant 2

HCID 702EthanolHCID 185488583-(3-cyano-phenyl)-N-(2-nitro-5-pyrrol-1-yl-phenyl)-3-oxo-propionamide

Product 1

HCID 185489173-(4-Oxo-7-pyrrol-1-yl-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)-benzonitrile

Sources & evidence

ORD record
ord-74e9aeccf80b4307b8283c6e819838ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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