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

HRID 151526

반응식

HRID 151526 반응식
[Br-:21].[F:22][C:23]([c:24]1[cH:25][cH:26][c:27]([B:28]([OH:29])[OH: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][c:4]([C:23]([F:22])([F:33])[F:34])[cH:5][cH:6]1

참가 물질

4

반응물 3

HCID 259Bromide ionHCID 27343894-(Trifluoromethyl)phenylboronic acidHCID 102208822-Phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one

생성물 1

HCID 110780202-(4-Trifluoromethyl-phenyl)-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indol-6-one

출처 및 근거

ORD 기록
ord-f52edf1405dc4e87a6560bb05b25dc87
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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