5-Chloro-2-benzothiazolamine → 4-(5-Chloro-benzothiazol-2-ylamino)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile
반응식
[CH3:1][C:2]1([CH3:15])[CH:3]2[CH:4]([c:5]3[cH:6][c:7]([C:12]#[N:13])[cH:8][cH:9][c:10]3[O:11]1)[O:14]2.[Cl:16][c:17]1[cH:18][cH:19][c:20]2[c:21]([n:22][c:23]([NH2:25])[s:24]2)[cH:26]1>>[CH3:1][C:2]1([CH3:15])[CH:3]([OH:14])[CH:4]([NH:25][c:23]2[n:22][c:21]3[c:20]([cH:19][cH:18][c:17]([Cl:16])[cH:26]3)[s:24]2)[c:5]2[cH:6][c:7]([C:12]#[N:13])[cH:8][cH:9][c:10]2[O:11]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-a80ac83f3f014c7aacea35c7f2b66fdc
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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