Chloride → 8-Chloro-4-[3-(5-dimethylaminomethyl-[1,2,3]triazol-1-yl)-phenyl]-7-(isobutyl-methyl-amino)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 288948Notes

Reaction equation

HRID 288948 reaction equation
[CH3:38][NH:39][CH3:40].[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][n:20][cH:21][c:22]3[CH2:23][OH:24])[cH:15][cH:16][cH:17]1)=[N:11]2.[Cl:41][CH2:42][Cl:43].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[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][n:20][cH:21][c:22]3[CH2:23][N:39]([CH3:38])[CH3:40])[cH:15][cH:16][cH:17]1)=[N:11]2

Participants

7

Reactant 6

HCID 312ChlorideHCID 674DimethylamineHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 24386Thionyl ChlorideHCID 18613355HCID 18613355, compound

Product 1

HCID 102774648-Chloro-4-[3-(5-dimethylaminomethyl-[1,2,3]triazol-1-yl)-phenyl]-7-(isobutyl-methyl-amino)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-c8120f1da39d421187e537283dbd798f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…