Acetate → 5-(Benzo[d]isothiazol-6-yl)-1,3,4-thiadiazol-2-amine
반응식
[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[n:6][n:7][c:8](-[c:10]2[cH:11][c:12]3[c:13]([cH:14][n:15][s:16]3)[cH:17][cH:18]2)[s:9]1.[CH3:20][C:21](=[O:22])[O-:23].[CH3:24][OH:25].[Cl:26][CH2:27][Cl:28].[NH4+:19]>>[c:5]1([NH2:19])[n:6][n:7][c:8](-[c:10]2[cH:11][c:12]3[c:13]([cH:14][n:15][s:16]3)[cH:17][cH:18]2)[s:9]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-2fef56c4e4064f749f73e8ad6e4fa9ef
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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