반응식
[C:1]([CH:2]=[CH:3][CH:4]=[CH:5][CH3:6])(=[O:7])[Cl:8].[CH3:36][N:37]([CH3:38])[c:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1.[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[c:9]1([C:15]#[C:16][c:17]2[cH:18][cH:19][c:20]([C:21](=[O:22])[NH:23][c:24]3[c:25]([S:30]([NH2:31])(=[O:32])=[O:33])[cH:26][cH:27][cH:28][cH:29]3)[cH:34][cH:35]2)[cH:10][cH:11][cH:12][cH:13][cH:14]1>>[C:1]([CH:2]=[CH:3][CH:4]=[CH:5][CH3:6])(=[O:7])[NH:31][S:30]([c:25]1[c:24]([NH:23][C:21]([c:20]2[cH:19][cH:18][c:17]([C:16]#[C:15][c:9]3[cH:10][cH:11][cH:12][cH:13][cH:14]3)[cH:35][cH:34]2)=[O:22])[cH:29][cH:28][cH:27][cH:26]1)(=[O:32])=[O:33]참가 물질
5
출처 및 근거
- ORD 기록
- ord-ca501e89dac14884b1244c02b606c583
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
연결된 노트
불러오는 중…