Phosphorus oxychloride → 9-Bromo-6-dimethylamino-1,2-dihydrobenzo[b]pyrrolo[3,2,1-jk]-[1,4]benzodiazepine

Reaction equation

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

Participants

Reactant 2

HCID 24813Phosphorus oxychloride

HCID 13823369N-[5-bromo-2-(2,3-dihydro-1H-indol-1-yl)phenyl]-N',N'-dimethylurea

Product 1

HCID 138233129-Bromo-6-dimethylamino-1,2-dihydrobenzo[b]pyrrolo[3,2,1-jk]-[1,4]benzodiazepine

Sources & evidence

ORD record: ord-caf8592db436401b871ae6a6b236b10b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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