Methyl 5-iodo-2,2-dimethylpentanoate → Methyl 5-(2,3-dichloro-4-(3-oxo-3-(5-(4-(trifluoromethyl)phenyl)thien-2-yl)propyl)phenoxy)-2,2-dimethylpentanoate

반응식

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

참가 물질

반응물 2

HCID 59138316Methyl 5-iodo-2,2-dimethylpentanoate

HCID 591803553-(2,3-Dichloro-4-hydroxyphenyl)-1-(5-(4-(trifluoromethyl)phenyl)thien-2-yl)propan-1-one

생성물 1

HCID 25059217Methyl 5-(2,3-dichloro-4-(3-oxo-3-(5-(4-(trifluoromethyl)phenyl)thien-2-yl)propyl)phenoxy)-2,2-dimethylpentanoate

출처 및 근거

ORD 기록: ord-5d513cd0ecae424692868db619d77e48
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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