Water → p-Toluenesulfonic acid
반응식
[CH2:31]=[C:32]1[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]1.[CH:38]([OH:39])([CH3:40])[CH3:41].[F:1][c:2]1[c:3]([C:9]2([CH2:13][n:14]3[n:15][cH:16][n:17][cH:18]3)[O:10][CH:11]2[CH3:12])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[OH2:19].[c:20]1([CH3:30])[cH:21][cH:22][c:23]([S:26](=[O:27])(=[O:28])[OH:29])[cH:24][cH:25]1>>[F:1][c:2]1[c:3]([C:9]([OH:10])([CH:11]([CH3:12])[N:35]2[CH2:34][CH2:33][C:32](=[CH2:31])[CH2:37][CH2:36]2)[CH2:13][n:14]2[n:15][cH:16][n:17][cH:18]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[c:20]1([CH3:30])[cH:21][cH:22][c:23]([S:26](=[O:27])(=[O:28])[OH:29])[cH:24][cH:25]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-33c20b049e014c68b3aa9e25aeac7fe9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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