N-((3-bromophenyl)methyl)methanesulfonamide → tert-Butyl 2-hydroxy-6-{[(3'-{[(methylsulfonyl)amino]methyl}-1,1'-biphenyl-4-yl)oxy]methyl}-3-(trifluoromethyl)benzoate

반응식

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

참가 물질

반응물 2

HCID 6464358N-((3-bromophenyl)methyl)methanesulfonamide

HCID 67119153Tert-butyl 2-hydroxy-6-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl}-3-(trifluoromethyl)benzoate

생성물 1

HCID 86617419tert-Butyl 2-hydroxy-6-{[(3'-{[(methylsulfonyl)amino]methyl}-1,1'-biphenyl-4-yl)oxy]methyl}-3-(trifluoromethyl)benzoate

출처 및 근거

ORD 기록: ord-e32f498f588d4b2799af391908d95603
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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