반응식
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([OH:9])[cH:7][cH:8]1.[F:10][c:11]1[c:12]([CH:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][N:23]2[CH2:24][CH2:25][CH:26]([c:29]3[cH:30][c:31]([NH:35][C:36]([CH:37]([CH3:38])[CH3:39])=[O:40])[cH:32][cH:33][cH:34]3)[CH2:27][CH2:28]2)[OH:41])[cH:13][cH:14][cH:15][cH:16]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([O:41][CH:17]([c:12]2[c:11]([F:10])[cH:16][cH:15][cH:14][cH:13]2)[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][N:23]2[CH2:24][CH2:25][CH:26]([c:29]3[cH:30][c:31]([NH:35][C:36]([CH:37]([CH3:38])[CH3:39])=[O:40])[cH:32][cH:33][cH:34]3)[CH2:27][CH2:28]2)[cH:7][cH:8]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-66f273d1770b498783ced98b248fd5c8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
연결된 노트
불러오는 중…