Water → 4-(2-Chloro-phenyl)-1-[2-(3-cyano-phenyl)-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepin-7-yl]-1H-pyrrole-3-carbonitrile

HRID 828519Notes

Reaction equation

HRID 828519 reaction equation
[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[Cl:1][c:2]1[c:3](-[c:8]2[cH:9][n:10](-[c:15]3[cH:16][cH:17][c:18]([N+:35]([O-:25])=[O:36])[c:19]([NH:21][C:22]([CH2:23][C:24]([c:26]4[cH:27][c:28]([C:32]#[N:33])[cH:29][cH:30][cH:31]4)=[O:37])=[O:34])[cH:20]3)[cH:11][c:12]2[C:13]#[N:14])[cH:4][cH:5][cH:6][cH:7]1.[OH2:43]>>[Cl:1][c:2]1[c:3](-[c:8]2[cH:9][n:10](-[c:15]3[cH:16][cH:17][c:18]4[c:19]([cH:20]3)[NH:21][C:22](=[O:34])[CH2:23][C:24]([c:26]3[cH:27][c:28]([C:32]#[N:33])[cH:29][cH:30][cH:31]3)=[N:35]4)[cH:11][c:12]2[C:13]#[N:14])[cH:4][cH:5][cH:6][cH:7]1

Participants

4

Reactant 3

HCID 962WaterHCID 8028TetrahydrofuranHCID 18548747N-{5-[3-(2-chloro-phenyl)-4-cyano-pyrrol-1-yl]-2-nitro-phenyl}-3-(3-cyano-phenyl)-3-oxo-propionamide

Product 1

HCID 185488524-(2-Chloro-phenyl)-1-[2-(3-cyano-phenyl)-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepin-7-yl]-1H-pyrrole-3-carbonitrile

Sources & evidence

ORD record
ord-bf4c9c57e4334fb2bff4bff59549b35c
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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