N'-cyano-N-[2-[[5-[(dimethylamino)methyl]-2-furanylmethyl]thio]ethyl]carbamimidothioic acid, methyl ester → HCID 178423561, 화합물
반응식
[C:14](#[N:15])[NH:16][C:17]([S:18][CH3:19])=[N:20][CH2:21][CH2:22][S:23][CH2:24][c:25]1[o:26][c:27]([CH2:30][N:31]([CH3:32])[CH3:33])[cH:28][cH:29]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7][c:8]([CH2:10][CH2:11][NH2:12])[o:9]2)[cH:13]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7][c:8]([CH2:10][CH2:11][N:12]=[C:17]([NH:16][C:14]#[N:15])[NH:20][CH2:21][CH2:22][S:23][CH2:24][c:25]3[o:26][c:27]([CH2:30][N:31]([CH3:32])[CH3:33])[cH:28][cH:29]3)[o:9]2)[cH:13]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-8774515e28e94ec98a1c1050504d1e91
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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