Dichloromethane → 2-methyl-5-(4-methyl-4-oxido-1-piperazinyl)-11H-1,2,4-triazolo[2,3-c][1,3]benzodiazepine

Reaction equation

[CH2:34]([Cl:35])[Cl:36].[CH3:1][c:2]1[n:3][c:4]2[n:5]([n:22]1)[C:6]([N:15]1[CH2:16][CH2:17][N:18]([CH3:21])[CH2:19][CH2:20]1)=[N:7][c:8]1[c:9]([cH:11][cH:12][cH:13][cH:14]1)[CH2:10]2.[Cl:23][c:24]1[cH:25][cH:26][cH:27][c:28]([C:29]([O:30][OH:32])=[O:31])[cH:33]1>>[CH3:1][c:2]1[n:3][c:4]2[n:5]([n:22]1)[C:6]([N:15]1[CH2:16][CH2:17][N+:18]([CH3:21])([O-:31])[CH2:19][CH2:20]1)=[N:7][c:8]1[c:9]([cH:11][cH:12][cH:13][cH:14]1)[CH2:10]2

Participants

Reactant 3

HCID 6344Dichloromethane

HCID 60717Batelapine

HCID 70297m-Chloroperbenzoic acid

Product 1

HCID 104256602-methyl-5-(4-methyl-4-oxido-1-piperazinyl)-11H-1,2,4-triazolo[2,3-c][1,3]benzodiazepine

Sources & evidence

ORD record: ord-fca7f4afc6cb42f08b92f6a46bbfe21e
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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