4-(Trifluoromethyl)phenylboronic acid → 2-Ethoxycarbonylmethyl-1-phenyl-5-(4-trifluoromethylphenoxy)indole-3-carboxylic acid ethyl ester

반응식

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

참가 물질

반응물 2

HCID 27343894-(Trifluoromethyl)phenylboronic acid

HCID 666575442-Ethoxycarbonylmethyl-5-hydroxy-1-phenylindole-3-carboxylic acid ethyl ester

생성물 1

HCID 666575402-Ethoxycarbonylmethyl-1-phenyl-5-(4-trifluoromethylphenoxy)indole-3-carboxylic acid ethyl ester

출처 및 근거

ORD 기록: ord-b0b88ae14bbc45eeba5cf1e20e5a09d1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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