Benzenesulfonyl chloride → 3-(3-{[Benzenesulfonyl-(4-pyrazol-1-yl-benzyl)-amino]-methyl}-phenyl)-propionic acid methyl ester
반응식
[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[cH:7][c:8]([CH2:12][NH:13][CH2:14][c:15]2[cH:16][cH:17][c:18](-[n:21]3[n:22][cH:23][cH:24][cH:25]3)[cH:19][cH:20]2)[cH:9][cH:10][cH:11]1)=[O:26].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[c:27]1([S:33](=[O:34])(=[O:35])[Cl:36])[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[cH:7][c:8]([CH2:12][N:13]([CH2:14][c:15]2[cH:16][cH:17][c:18](-[n:21]3[n:22][cH:23][cH:24][cH:25]3)[cH:19][cH:20]2)[S:33]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)(=[O:34])=[O:35])[cH:9][cH:10][cH:11]1)=[O:26]참가 물질
4
출처 및 근거
- ORD 기록
- ord-ee67d83711444d15a01b7746f8a8858c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)