Ethanol → Toluene-4-sulfonic acid 2-[4-amino-3-(naphthalene-1-sulfonylmethyl)-phenoxy]-ethyl ester
반응식
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:1][CH2:2][OH:3].[c:4]1([S:14](=[O:15])(=[O:16])[CH2:17][c:18]2[cH:19][c:20]([O:21][CH2:22][CH2:23][O:24][S:25](=[O:26])(=[O:27])[c:28]3[cH:29][cH:30][c:31]([CH3:34])[cH:32][cH:33]3)[cH:35][cH:36][c:37]2[N+:38]([O-:39])=[O:40])[cH:5][cH:6][cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12>>[c:4]1([S:14](=[O:15])(=[O:16])[CH2:17][c:18]2[cH:19][c:20]([O:21][CH2:22][CH2:23][O:24][S:25](=[O:26])(=[O:27])[c:28]3[cH:29][cH:30][c:31]([CH3:34])[cH:32][cH:33]3)[cH:35][cH:36][c:37]2[NH2:38])[cH:5][cH:6][cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12참가 물질
4
출처 및 근거
- ORD 기록
- ord-4e56c74302804639b386926b3dad7c55
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
반응 노트
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