반응식
[C:27]([NH2:28])(=[O:29])[CH2:30][c:31]1[cH:32][cH:33][c:34]([O:35][CH2:36][CH2:37][NH:38][CH2:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:46][cH:47]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([C:12]([CH2:13][Br:14])=[O:15])[cH:16][cH:17][c:18]1[O:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH3:54][CH2:55][OH:56].[CH3:57][CH2:58][O:59][CH2:60][CH3:61].[Na+:48].[Na+:49].[O-:50][C:51](=[O:52])[O-:53]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([C:12]([CH2:13][N:38]([CH2:37][CH2:36][O:35][c:34]2[cH:33][cH:32][c:31]([CH2:30][C:27]([NH2:28])=[O:29])[cH:47][cH:46]2)[CH2:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)=[O:15])[cH:16][cH:17][c:18]1[O:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-a8ba639821c148f0bee38b31b77d0ccb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
연결된 노트
불러오는 중…