Methanol → [6-Acetyl-3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-propylphenoxy]acetic acid
반응식
[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]([CH2:33][CH2:34][CH3:35])[c:8]([O:15][CH2:16][CH2:17][CH2:18][O:19][c:20]2[c:21]([CH2:30][CH2:31][CH3:32])[c:22]([OH:29])[c:23]([C:26]([CH3:27])=[O:28])[cH:24][cH:25]2)[cH:9][cH:10][c:11]1[C:12]([CH3:13])=[O:14])=[O:36].[CH3:37][OH:38].[Na+:40].[OH-:39]>>[O:2]=[C:3]([CH2:4][O:5][c:6]1[c:7]([CH2:33][CH2:34][CH3:35])[c:8]([O:15][CH2:16][CH2:17][CH2:18][O:19][c:20]2[c:21]([CH2:30][CH2:31][CH3:32])[c:22]([OH:29])[c:23]([C:26]([CH3:27])=[O:28])[cH:24][cH:25]2)[cH:9][cH:10][c:11]1[C:12]([CH3:13])=[O:14])[OH:36]참가 물질
5
출처 및 근거
- ORD 기록
- ord-b6f5079bcff646669dcb1b7d1bfe51db
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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