반응식
[CH3:20][O:21][c:22]1[c:23]([CH2:24][OH:25])[cH:26][cH:27][cH:28][cH:29]1.[CH3:45][N:46]([c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1)[CH3:53].[CH:30]1([N:31]=[C:32]=[N:33][CH:34]2[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]2)[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]1.[Cl:54][CH2:55][Cl:56].[c:1]1([CH3:19])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[N:10]2[CH:11]([C:16](=[O:17])[OH:18])[CH2:12][S:13][CH2:14][CH2:15]2)[cH:5][cH:6]1>>[c:1]1([CH3:19])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[N:10]2[CH:11]([C:16]([O:17][CH2:24][c:23]3[c:22]([O:21][CH3:20])[cH:29][cH:28][cH:27][cH:26]3)=[O:18])[CH2:12][S:13][CH2:14][CH2:15]2)[cH:5][cH:6]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-faa4218dbb73484c86a0aeeee2f17887
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
연결된 노트
불러오는 중…