Ethanol → Methyl 3-[6-(4-chlorophenylsulfonyl)(2,5-difluorophenyl)methyl-5-fluoropyridin-3-yl]propionate

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 6344Dichloromethane

HCID 67101326HCID 67101326, 화합물

생성물 1

HCID 23114759Methyl 3-[6-(4-chlorophenylsulfonyl)(2,5-difluorophenyl)methyl-5-fluoropyridin-3-yl]propionate

출처 및 근거

ORD 기록: ord-91c90b122f7c47c6a2e48caca3e2857c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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