Water → HCID 21430457, 화합물
반응식
[CH3:14][N:15]1[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]1.[CH3:21][N:22]([CH3:23])[CH:24]=[O:25].[Cl:1][c:2]1[c:3]([S:10]([NH2:11])(=[O:12])=[O:13])[cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1.[OH2:26]>>[c:2]1([N:18]2[CH2:17][CH2:16][N:15]([CH3:14])[CH2:20][CH2:19]2)[c:3]([S:10]([NH2:11])(=[O:12])=[O:13])[cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-1513c88bb2af43b7a44d5c13ab319459
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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