Methyl Acrylate → Methyl 5-[tert-butylsulfinyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]pent-2-enoate

반응식

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

참가 물질

반응물 2

HCID 7294Methyl Acrylate

HCID 579874802-Methyl-N-[4-(trifluoromethyl)benzyl]-N-{1-[4-(trifluoromethyl)phenyl]but-3-en-1-yl}propane-2-sulfinamide

생성물 1

HCID 76697356Methyl 5-[tert-butylsulfinyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-[4-(trifluoromethyl)phenyl]pent-2-enoate

출처 및 근거

ORD 기록: ord-e8af889dba23467fa7fc643d185c67ef
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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