Chloride → 1-methyl-7-chloro-3-dipropylacetoxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepine-2-one

HRID 298654

Reaction equation

HRID 298654 reaction equation
[CH2:34]([CH2:35][CH3:36])[CH:37]([C:38](=[O:39])[OH:40])[CH2:41][CH2:42][CH3:43].[CH3:1][N:2]1[C:3](=[O:21])[CH:4]([OH:20])[N:5]=[C:6]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:7]2[c:8]1[cH:9][cH:10][c:11]([Cl:13])[cH:12]2.[CH3:44][CH2:45][OH:46].[Cl-:33].[O:28]=[CH:29][N:30]([CH3:31])[CH3:32].[cH:22]1[cH:23][cH:24][n:25][cH:26][cH:27]1>>[CH3:1][N:2]1[C:3](=[O:21])[CH:4]([O:20][C:38]([CH:37]([CH2:34][CH2:35][CH3:36])[CH2:41][CH2:42][CH3:43])=[O:39])[N:5]=[C:6]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:7]2[c:8]1[cH:9][cH:10][c:11]([Cl:13])[cH:12]2

Participants

7

Reactant 6

HCID 312ChlorideHCID 702EthanolHCID 1049PyridineHCID 3121Valproic AcidHCID 5391TemazepamHCID 6228Dimethylformamide

Product 1

HCID 234655641-methyl-7-chloro-3-dipropylacetoxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepine-2-one

Sources & evidence

ORD record
ord-257c5c27a46a4246a9c2571e8104a2c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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