1-(2-Hydroxy-4-(2-oxiranylmethoxy)-3-propylphenyl)ethanone → Ethyl 2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropylthio]benzimidazole-5-carboxylate
반응식
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:18])[c:6]([CH2:15][CH2:16][CH3:17])[c:7]([O:8][CH2:9][CH:10]2[CH2:11][O:12]2)[cH:13][cH:14]1.[SH:19][c:20]1[nH:21][c:22]2[c:23]([n:24]1)[cH:25][cH:26][c:27]([C:29](=[O:30])[O:31][CH2:32][CH3:33])[cH:28]2>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:18])[c:6]([CH2:15][CH2:16][CH3:17])[c:7]([O:8][CH2:9][CH:10]([CH2:11][S:19][c:20]2[nH:21][c:22]3[c:23]([n:24]2)[cH:25][cH:26][c:27]([C:29](=[O:30])[O:31][CH2:32][CH3:33])[cH:28]3)[OH:12])[cH:13][cH:14]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-5b62727daebd4a949130146441b4dc05
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
반응 노트
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