p-Toluenesulfonic acid → 3-Hydroxypropyl 4-[15-(trifluoromethyl)pentadecylamino]benzoate
반응식
[CH2:31]([CH2:32][CH2:33][OH:34])[OH:35].[F:1][C:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][NH:18][c:19]1[cH:20][cH:21][c:22]([C:23](=[O:24])[O:25][CH3:26])[cH:27][cH:28]1)([F:29])[F:30].[c:36]1([CH3:37])[cH:38][cH:39][c:40]([S:41]([OH:42])(=[O:43])=[O:44])[cH:45][cH:46]1>>[F:1][C:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][NH:18][c:19]1[cH:20][cH:21][c:22]([C:23](=[O:24])[O:25][CH2:26][CH2:32][CH2:33][OH:34])[cH:27][cH:28]1)([F:29])[F:30]참가 물질
4
출처 및 근거
- ORD 기록
- ord-1a240bbcf0a543dbb60040b37f0ca351
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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