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

HRID 1217846Notes

Reaction equation

HRID 1217846 reaction equation
[Br-:21].[F:22][C:23]([c:24]1[cH:25][c:26]([B:34]([OH:35])[OH:36])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:37])[F:38].[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:7]1(-[c:26]2[cH:25][c:24]([C:23]([F:22])([F:37])[F:38])[cH:29][c:28]([C:30]([F:31])([F:32])[F:33])[cH:27]2)[nH:8][c:9]2[cH:10][cH:11][cH:12][c:13]3[c:14]2[c:15]1[CH2:16][CH2:17][NH:18][C:19]3=[O:20]

Participants

4

Reactant 3

HCID 259Bromide ionHCID 1562653,5-Bis-trifluoromethylphenylboronic acidHCID 102208822-Phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one

Product 1

HCID 110148152-(3,5-Bis-trifluoromethyl-phenyl)-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indol-6-one

Sources & evidence

ORD record
ord-c064a90ed96448ff81727e40fbd4ad4a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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