Ethanol → 4-(2-[1-benzhydryl-5-chloro-2-(2-{[(2-hydroxyphenyl)sulfonyl]amino}ethyl)-1H-indol-3-yl]ethoxy}benzoic acid
반응식
[CH3:55][OH:56].[CH3:57][CH2:58][OH:59].[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[n:14]1[c:15]([CH2:36][CH2:37][NH:38][S:39](=[O:40])(=[O:41])[c:42]2[c:43]([O:48][CH2:49][C:50]([CH3:51])=[CH:52][CH:53]=[CH2:54])[cH:44][cH:45][cH:46][cH:47]2)[c:16]([CH2:24][CH2:25][O:26][c:27]2[cH:28][cH:29][c:30]([C:31](=[O:32])[OH:33])[cH:34][cH:35]2)[c:17]2[cH:18][c:19]([Cl:23])[cH:20][cH:21][c:22]12>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[n:14]1[c:15]([CH2:36][CH2:37][NH:38][S:39](=[O:40])(=[O:41])[c:42]2[c:43]([OH:48])[cH:44][cH:45][cH:46][cH:47]2)[c:16]([CH2:24][CH2:25][O:26][c:27]2[cH:28][cH:29][c:30]([C:31](=[O:32])[OH:33])[cH:34][cH:35]2)[c:17]2[cH:18][c:19]([Cl:23])[cH:20][cH:21][c:22]12참가 물질
4
반응물 3
생성물 1
출처 및 근거
- ORD 기록
- ord-8053171dd79e41a289a32143ac8236b9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)