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

HRID 1135659Notes

Reaction equation

HRID 1135659 reaction equation
[Br-:21].[NH2:23][c:24]1[cH:25][c:26]([B:27]([OH:28])[OH:29])[cH:30][cH:31][cH:32]1.[OH2:22].[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]([NH2:23])[cH:6]1

Participants

5

Reactant 4

HCID 259Bromide ionHCID 962WaterHCID 922693-Aminophenylboronic acidHCID 102208822-Phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one

Product 1

HCID 118079982-(3-Amino-phenyl)-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indol-6-one

Sources & evidence

ORD record
ord-4b084f54a09c463cbcd4908f4196b2f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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