Ethanol → 8-Chloro-7-dimethylamino-4-[3-(4-morpholin-4-ylmethyl-thiazol-2-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 314423Notes

Reaction equation

HRID 314423 reaction equation
[CH2:30]1[CH2:31][O:32][CH2:33][CH2:34][NH:35]1.[CH3:37][CH2:38][OH:39].[Cl:1][c:2]1[c:3]([N:27]([CH3:28])[CH3:29])[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](-[c:18]3[s:19][cH:20][c:21]([CH2:23][Cl:24])[n:22]3)[cH:15][cH:16][cH:17]1)=[N:11]2.[OH2:36]>>[Cl:1][c:2]1[c:3]([N:27]([CH3:28])[CH3:29])[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](-[c:18]3[s:19][cH:20][c:21]([CH2:23][N:35]4[CH2:30][CH2:31][O:32][CH2:33][CH2:34]4)[n:22]3)[cH:15][cH:16][cH:17]1)=[N:11]2

Participants

5

Reactant 4

HCID 702EthanolHCID 962WaterHCID 8083MorpholineHCID 186132138-Chloro-4-[3-(4-chloromethyl-thiazol-2-yl)-phenyl]-7-dimethylamino-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Product 1

HCID 186134878-Chloro-7-dimethylamino-4-[3-(4-morpholin-4-ylmethyl-thiazol-2-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-00bcb4813806423f89857fbdaf7052bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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