Bromide ion → 2-(3-Trifluoromethyl-phenyl)-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indol-6-one

HRID 2158058Notes

Reaction equation

HRID 2158058 reaction equation
[Br-:21].[F:22][C:23]([c:24]1[cH:25][c:26]([B:27]([OH:28])[OH:29])[cH:30][cH:31][cH:32]1)([F:33])[F:34].[c:1]1(-[c:7]2[nH:8][c:9]3[cH:10][cH:11][cH:12][c:13]4[c:14]3[c:15]2[CH2:16][CH2:17][NH:18][C:19]4=[O:20])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[nH:8][c:9]3[cH:10][cH:11][cH:12][c:13]4[c:14]3[c:15]2[CH2:16][CH2:17][NH:18][C:19]4=[O:20])[cH:2][cH:3][cH:4][c:5]([C:23]([F:22])([F:33])[F:34])[cH:6]1

Participants

4

Reactant 3

HCID 259Bromide ionHCID 27343883-(Trifluoromethyl)phenylboronic acidHCID 102208822-Phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one

Product 1

HCID 109911332-(3-Trifluoromethyl-phenyl)-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indol-6-one

Sources & evidence

ORD record
ord-e339b312676743b984ecefa6a21ee4f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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