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

HRID 683500Notes

Reaction equation

HRID 683500 reaction equation
[CH2:37]1[CH2:38][CH2:39][NH:40][CH2:41]1.[Cl-:36].[Cl:1][c:2]1[c:3]([N:27]([CH2:28][CH2:29][CH3:30])[CH3:31])[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:42][CH2:43][Cl:44].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[S:32]([Cl:33])([Cl:34])=[O:35]>>[Cl:1][c:2]1[c:3]([N:27]([CH2:28][CH2:29][CH3:30])[CH3:31])[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:40]3[CH2:39][CH2:38][CH2:37][CH2:41]3)[cH:15][cH:16][cH:17]1)=[N:11]2

Participants

7

Reactant 6

HCID 312ChlorideHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 24386Thionyl ChlorideHCID 31268PyrrolidineHCID 186131528-Chloro-7-(methyl-propyl-amino)-4-[3-(5-hydroxymethyl-[1,2,4]triazol-1-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Product 1

HCID 186132698-Chloro-7-(methyl-propyl-amino)-4-[3-(5-pyrrolidin-1-ylmethyl-[1,2,4]triazol-1-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-d8ce710841b54f3bb8ea67a5ef2a2906
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…