Bromoacetic Acid → {6-Chloro-3-[4-(2-fluoro-phenyl)-piperazine-1-carbonyl]-indol-1-yl}-acetic acid

반응식

[Br:26][CH2:27][C:28](=[O:29])[OH:30].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([C:11](=[O:12])[N:13]3[CH2:14][CH2:15][N:16]([c:19]4[c:20]([F:25])[cH:21][cH:22][cH:23][cH:24]4)[CH2:17][CH2:18]3)[cH:7][nH:8][c:9]2[cH:10]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([C:11](=[O:12])[N:13]3[CH2:14][CH2:15][N:16]([c:19]4[c:20]([F:25])[cH:21][cH:22][cH:23][cH:24]4)[CH2:17][CH2:18]3)[cH:7][n:8]([CH2:27][C:28](=[O:29])[OH:30])[c:9]2[cH:10]1

참가 물질

반응물 2

HCID 6227Bromoacetic Acid

HCID 16061731(6-Chloro-1H-indol-3-yl)[4-(2-fluorophenyl)piperazin-1-yl]methanone

생성물 1

HCID 66744281{6-Chloro-3-[4-(2-fluoro-phenyl)-piperazine-1-carbonyl]-indol-1-yl}-acetic acid

출처 및 근거

ORD 기록: ord-40c2ececcccf4f98a1f3c9d1a11d1af8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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