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

Reaction equation

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

Participants

Reactant 2

HCID 24813Phosphorus oxychloride

HCID 13823368N-[2-(5-bromo-1-indolinyl)-5-bromophenyl]-4-methyl-1-piperazinecarboxamide

Product 1

HCID 138233094,9-Dibromo-6-(4-methyl-1-piperazinyl)-1,2-dihydrobenzo[b]pyrrolo[3,2,1-jk][1,4]-benzodiazepine

Sources & evidence

ORD record: ord-84fc29bf46454e4ba6026bc07f4ecbb3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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