Toluene → Bromide ion
반응식
[Br:1][CH2:2][c:3]1[cH:4][c:5]([NH:9][C:10]([c:11]2[cH:12][cH:13][c:14]([O:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[cH:15][cH:16]2)=[O:32])[cH:6][cH:7][cH:8]1.[CH3:33][c:34]1[cH:35][n:36][cH:37][s:38]1.[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[Br-:1].[CH2:2]([c:3]1[cH:4][c:5]([NH:9][C:10]([c:11]2[cH:12][cH:13][c:14]([O:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[cH:15][cH:16]2)=[O:32])[cH:6][cH:7][cH:8]1)[n+:36]1[cH:35][c:34]([CH3:33])[s:38][cH:37]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-2fb0aba357ca429092d7a2a7e2faa464
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)