Benzoyl isothiocyanate → N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide
반응식
[C:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)(=[O:20])[N:21]=[C:22]=[S:23].[NH2:1][c:2]1[c:3]([C:11]#[N:12])[c:4]2[c:5]([s:6]1)[CH2:7][CH2:8][CH2:9][CH2:10]2>>[NH:1]([c:2]1[c:3]([C:11]#[N:12])[c:4]2[c:5]([s:6]1)[CH2:7][CH2:8][CH2:9][CH2:10]2)[C:22]([NH:21][C:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)=[O:20])=[S:23]참가 물질
3
출처 및 근거
- ORD 기록
- ord-927c1cebe2f14fbb84b113a46ca1a4ba
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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