4-(Trifluoromethyl)phenylboronic acid → HCID 178430127, 화합물

반응식

[Br:1][c:2]1[cH:3][c:4]([C:27]([F:28])([F:29])[F:30])[cH:5][c:6]2[c:7]1[nH:8][c:9]([N:11]1[CH:12]([CH3:26])[CH2:13][N:14]([c:17]3[c:18]([Cl:25])[cH:19][c:20]([CH2:23][OH:24])[cH:21][n:22]3)[CH2:15][CH2:16]1)[n:10]2.[F:31][C:32]([c:33]1[cH:34][cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][cH:38]1)([F:42])[F:43]>>[c:2]1(-[c:36]2[cH:35][cH:34][c:33]([C:32]([F:31])([F:42])[F:43])[cH:38][cH:37]2)[cH:3][c:4]([C:27]([F:28])([F:29])[F:30])[cH:5][c:6]2[c:7]1[nH:8][c:9]([N:11]1[CH:12]([CH3:26])[CH2:13][N:14]([c:17]3[c:18]([Cl:25])[cH:19][c:20]([CH2:23][OH:24])[cH:21][n:22]3)[CH2:15][CH2:16]1)[n:10]2

참가 물질

반응물 2

HCID 27343894-(Trifluoromethyl)phenylboronic acid

HCID 178430125[6-[4-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-methylpiperazin-1-yl]-5-chloro-3-pyridinyl]methanol

생성물 1

HCID 178430127HCID 178430127, 화합물

출처 및 근거

ORD 기록: ord-86cf9f46c1624297a2e117e635f1c644
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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