Ethanol → 1-(5-tert-butyl-2-methoxybenzyl)-5-chloro-1H-indole-2-carboxylic acid
반응식
[CH2:3]([CH3:4])[O:5][C:6](=[O:7])[c:8]1[n:9]([CH2:18][c:19]2[c:20]([O:29][CH3:30])[cH:21][cH:22][c:23]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:24]2)[c:10]2[cH:11][cH:12][c:13]([Cl:17])[cH:14][c:15]2[cH:16]1.[CH3:31][CH2:32][OH:33].[Na+:2].[OH-:1]>>[O:5]=[C:6]([OH:7])[c:8]1[n:9]([CH2:18][c:19]2[c:20]([O:29][CH3:30])[cH:21][cH:22][c:23]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:24]2)[c:10]2[cH:11][cH:12][c:13]([Cl:17])[cH:14][c:15]2[cH:16]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-7cf8d3aa21114f8184771bba85c616de
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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