4-(Trifluoromethyl)phenylboronic acid → HCID 178444038, 화합물

반응식

[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[c:13]([OH:18])[cH:14][cH:15][cH:16][cH:17]2)[cH:10][cH:11]1)[NH:19][C:20]([c:21]1[c:22]([O:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[cH:23][cH:24][c:25]([Br:27])[cH:26]1)=[O:36])=[O:37].[F:38][C:39]([c:40]1[cH:41][cH:42][c:43]([B:46]([OH:47])[OH:48])[cH:44][cH:45]1)([F:49])[F:50]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[c:13]([O:18][c:43]3[cH:42][cH:41][c:40]([C:39]([F:38])([F:49])[F:50])[cH:45][cH:44]3)[cH:14][cH:15][cH:16][cH:17]2)[cH:10][cH:11]1)[NH:19][C:20]([c:21]1[c:22]([O:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[cH:23][cH:24][c:25]([Br:27])[cH:26]1)=[O:36])=[O:37]

참가 물질

반응물 2

HCID 27343894-(Trifluoromethyl)phenylboronic acid

HCID 178444039HCID 178444039, 화합물

생성물 1

HCID 178444038HCID 178444038, 화합물

출처 및 근거

ORD 기록: ord-a771703f63534016bf66ab1a628f2ce9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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