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Chloride → HCID 18613440, compound

HRID 1540813
Notes
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Reaction equation

HRID 1540813 reaction equation
[CH2:38]1[CH2:39][CH2:40][NH:41][CH2:42]1.[Cl-:37].[Cl:1][c:2]1[c:3]([N:27]([CH3:28])[CH2:29][CH:30]([CH3:31])[CH3:32])[cH:4][c:5]2[c:6]([cH:26]1)[NH:7][C:8](=[O:25])[CH2:9][C:10]([c:12]1[cH:13][c:14](-[n:18]3[n:19][cH:20][n:21][c:22]3[CH2:23][OH:24])[cH:15][cH:16][cH:17]1)=[N:11]2.[Cl:43][CH2:44][Cl:45].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[S:33]([Cl:34])([Cl:35])=[O:36]>>[Cl:1][c:2]1[c:3]([N:27]([CH3:28])[CH2:29][CH:30]([CH3:31])[CH3:32])[cH:4][c:5]2[c:6]([cH:26]1)[NH:7][C:8](=[O:25])[CH2:9][C:10]([c:12]1[cH:13][c:14](-[n:18]3[n:19][cH:20][n:21][c:22]3[CH2:23][N:41]3[CH2:40][CH2:39][CH2:38][CH2:42]3)[cH:15][cH:16][cH:17]1)=[N:11]2
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 312ChlorideHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 24386Thionyl ChlorideHCID 31268PyrrolidineHCID 186131158-Chloro-4-[3-(5-hydroxymethyl-[1,2,4]triazol-1-yl)-phenyl]-7-(isobutyl-methyl-amino)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Product 1

HCID 18613440HCID 18613440, compound

Sources & evidence

ORD record
ord-92cff0fb255e46948a55f197c6629297
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

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