Ethyl Acetate → Bromide ion
반응식
[Br:28][CH2:29][CH2:30][c:31]1[cH:32][cH:33][c:34]2[c:35]([cH:39]1)[CH2:36][CH2:37][O:38]2.[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[N:1]12[CH2:2][CH:3]([NH:9][C:10]([O:11][CH:12]([c:13]3[cH:14][c:15]([F:19])[cH:16][cH:17][cH:18]3)[c:20]3[cH:21][c:22]([F:26])[cH:23][cH:24][cH:25]3)=[O:27])[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2>>[Br-:28].[N+:1]12([CH2:29][CH2:30][c:31]3[cH:32][cH:33][c:34]4[c:35]([cH:39]3)[CH2:36][CH2:37][O:38]4)[CH2:2][CH:3]([NH:9][C:10]([O:11][CH:12]([c:13]3[cH:14][c:15]([F:19])[cH:16][cH:17][cH:18]3)[c:20]3[cH:21][c:22]([F:26])[cH:23][cH:24][cH:25]3)=[O:27])[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2참가 물질
5
출처 및 근거
- ORD 기록
- ord-18219b18343e460fa85357579eb172c7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)