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

HRID 167989Notes

Reaction equation

HRID 167989 reaction equation
[CH3:30][NH2:31].[CH3:35][CH2:36][OH:37].[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.[Na+:34].[OH-:33].[OH2:32]>>[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][NH:31][CH3:30])[n:22]3)[cH:15][cH:16][cH:17]1)=[N:11]2

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6329MethylamineHCID 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 186132168-Chloro-7-dimethylamino-4-[3-(4-methylaminomethyl-thiazol-2-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-6319c0b879484e0ab8f83c2a48ab6fdc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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