4-(Methanesulfonyl)phenylboronic acid → 2-benzyl-6-chloro-4-(4-methanesulfonylphenyl)-1-oxo-1,2-dihydroisoquinoline-3-carboxylic Acid Methyl Ester

반응식

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

참가 물질

반응물 2

HCID 27343644-(Methanesulfonyl)phenylboronic acid

HCID 865995572-Benzyl-6-chloro-1-oxo-4-trifluoromethanesulfonyloxy-1,2-dihydroisoquinoline-3-carboxylic acid methyl ester

생성물 1

HCID 691571312-benzyl-6-chloro-4-(4-methanesulfonylphenyl)-1-oxo-1,2-dihydroisoquinoline-3-carboxylic Acid Methyl Ester

출처 및 근거

ORD 기록: ord-d7d5d9e2c4394f548c8e4c97d3273312
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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