Phosphorus oxychloride → 6-(4-Methyl-1-piperazinyl)-9-methyl-1,2-dihydrobenzo[b]pyrrolo[3,2,1-jk][1,4]benzodiazepine

HRID 286027Notes

Reaction equation

HRID 286027 reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5]([N:18]2[CH2:19][CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]32)[c:6]([NH:8][C:9](=[O:10])[N:11]2[CH2:12][CH2:13][N:14]([CH3:17])[CH2:15][CH2:16]2)[cH:7]1.[P:27]([Cl:28])([Cl:29])([Cl:30])=[O:31]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7]1)[N:8]=[C:9]([N:11]1[CH2:12][CH2:13][N:14]([CH3:17])[CH2:15][CH2:16]1)[c:25]1[cH:24][cH:23][cH:22][c:21]3[c:26]1[N:18]2[CH2:19][CH2:20]3

Participants

3

Reactant 2

HCID 24813Phosphorus oxychlorideHCID 13823356N-[5-methyl-2-(2,3-dihydro-1H-indol-1-yl)phenyl]-4-methyl-1-piperazinecarboxamide

Product 1

HCID 138232916-(4-Methyl-1-piperazinyl)-9-methyl-1,2-dihydrobenzo[b]pyrrolo[3,2,1-jk][1,4]benzodiazepine

Sources & evidence

ORD record
ord-d8f594df19474cba8e19cb59cc13af43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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