Allyl Isothiocyanate → N-[2-(6-dimethylaminomethyl-2-benzofuranylmethylthio)ethyl]-N'-(2-propenyl)thiourea
반응식
[CH2:19]([CH:20]=[CH2:21])[N:22]=[C:23]=[S:24].[CH3:25][C:26]#[N:27].[NH2:1][CH2:2][CH2:3][S:4][CH2:5][c:6]1[o:7][c:8]2[c:9]([cH:10]1)[cH:11][cH:12][c:13]([CH2:15][N:16]([CH3:17])[CH3:18])[cH:14]2>>[NH:1]([CH2:2][CH2:3][S:4][CH2:5][c:6]1[o:7][c:8]2[c:9]([cH:10]1)[cH:11][cH:12][c:13]([CH2:15][N:16]([CH3:17])[CH3:18])[cH:14]2)[C:23]([NH:22][CH2:19][CH:20]=[CH2:21])=[S:24]참가 물질
4
출처 및 근거
- ORD 기록
- ord-28adff1a0b1343ef87449a13a5ca772e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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