Ethanol → 4-{[2-(Thiophen-2-yl)ethyl]amino}benzoic acid
반응식
[CH3:22][CH2:23][OH:24].[K+:21].[OH-:20].[s:1]1[c:2]([CH2:6][CH2:7][NH:8][c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:18][cH:19]2)[cH:3][cH:4][cH:5]1>>[s:1]1[c:2]([CH2:6][CH2:7][NH:8][c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[OH:15])[cH:18][cH:19]2)[cH:3][cH:4][cH:5]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-a99bb53d6d4c40848f1cf5bee2832a5b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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