Water → 4-(2-chloro-4-fluorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-2-(hydroxymethyl)cyclopentane-1-carboxamide
반응식
[C:1](#[N:2])[C:3]1([NH:6][C:7](=[O:8])[CH:9]2[CH:10]([CH2:25][O:26][CH2:27][c:28]3[cH:29][cH:30][c:31]([O:32][CH3:33])[cH:34][cH:35]3)[CH2:11][CH:12]([S:14](=[O:15])(=[O:16])[c:17]3[c:18]([Cl:24])[cH:19][c:20]([F:23])[cH:21][cH:22]3)[CH2:13]2)[CH2:4][CH2:5]1.[Cl:37][CH2:38][Cl:39].[OH2:36]>>[C:1](#[N:2])[C:3]1([NH:6][C:7](=[O:8])[CH:9]2[CH:10]([CH2:25][OH:26])[CH2:11][CH:12]([S:14](=[O:15])(=[O:16])[c:17]3[c:18]([Cl:24])[cH:19][c:20]([F:23])[cH:21][cH:22]3)[CH2:13]2)[CH2:4][CH2:5]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-473c37f935ef4d9b965b831abe8e69a9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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