Dichloromethane → 4-{1-[4-(3,3-Dimethyl-2-oxobutoxy)-3-methylphenyl]-1-ethylpropyl}-2-methylbenzoic acid
반응식
[CH3:1][C:2]([CH:3]([CH2:4][O:5][c:6]1[c:7]([CH3:27])[cH:8][c:9]([C:12]([CH2:13][CH3:14])([CH2:15][CH3:16])[c:17]2[cH:18][c:19]([CH3:26])[c:20]([C:21](=[O:22])[OH:23])[cH:24][cH:25]2)[cH:10][cH:11]1)[OH:28])([CH3:29])[CH3:30].[CH3:34][CH2:35][O:36][C:37]([CH3:38])=[O:39].[Cl:31][CH2:32][Cl:33]>>[CH3:1][C:2]([C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:27])[cH:8][c:9]([C:12]([CH2:13][CH3:14])([CH2:15][CH3:16])[c:17]2[cH:18][c:19]([CH3:26])[c:20]([C:21](=[O:22])[OH:23])[cH:24][cH:25]2)[cH:10][cH:11]1)=[O:28])([CH3:29])[CH3:30]참가 물질
4
출처 및 근거
- ORD 기록
- ord-8414eb604b634cf583b004e1f48d4b6b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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