반응식
[Br:36][c:37]1[cH:38][c:39]2[cH:40][cH:41][c:42]([S:47](=[O:48])(=[O:49])[N:50]3[CH2:51][CH2:52][NH:53][CH2:54][CH2:55]3)[cH:43][c:44]2[cH:45][cH:46]1.[C:23]([c:24]1[nH:25][cH:26][cH:27][n:28]1)([c:29]1[nH:30][cH:31][cH:32][n:33]1)=[O:34].[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[ClH:35].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[n:1]1[cH:2][cH:3][c:4](-[c:7]2[cH:8][cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15]2)[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4](-[c:7]2[cH:8][cH:9][c:10]([C:11](=[O:13])[N:53]3[CH2:52][CH2:51][N:50]([S:47]([c:42]4[cH:41][cH:40][c:39]5[cH:38][c:37]([Br:36])[cH:46][cH:45][c:44]5[cH:43]4)(=[O:48])=[O:49])[CH2:55][CH2:54]3)[cH:14][cH:15]2)[cH:5][cH:6]1참가 물질
8
반응물 7
생성물 1
출처 및 근거
- ORD 기록
- ord-00e47fa9c7d54f3593af94f93d7d0dd8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
연결된 노트
불러오는 중…