Methyl phenyl sulfone → [2,6-Difluoro-4-(4-methylsulfonylphenyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

반응식

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

참가 물질

반응물 3

HCID 18369Methyl phenyl sulfone

HCID 61668Boronic Acid

HCID 11964889(4-Bromo-2,6-difluorophenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

생성물 1

HCID 11719321[2,6-Difluoro-4-(4-methylsulfonylphenyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

출처 및 근거

ORD 기록: ord-5abae74f1765411e8368007c1eb4efe4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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