Isobutylamine → 3-({1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)-N-isobutylbenzamide
반응식
[CH2:34]([CH:35]([CH3:36])[CH3:37])[NH2:38].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][C:11](=[CH:13][S:14](=[O:15])(=[O:16])[CH2:17][c:18]3[cH:19][c:20]([C:21](=[O:22])[OH:23])[cH:24][cH:25][cH:26]3)[CH2:12]2)[c:27]2[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][C:11](=[CH:13][S:14](=[O:15])(=[O:16])[CH2:17][c:18]3[cH:19][c:20]([C:21](=[O:22])[NH:38][CH2:34][CH:35]([CH3:36])[CH3:37])[cH:24][cH:25][cH:26]3)[CH2:12]2)[c:27]2[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[cH:6][cH:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-96512e405e18486f8ce6992a6e53b5e3
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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