Sodium ion → 3-{4-[2-(2,2,2-Trifluoroethoxy)-3-tert-butyl-5-methylphenyl]benzo[b]thien-2-yl}but-2-enoic acid ethyl ester
반응식
[C:17]([CH3:18])(=[O:19])[c:20]1[cH:21][c:22]2[c:23]([s:24]1)[cH:25][cH:26][cH:27][c:28]2-[c:29]1[c:30]([O:40][CH2:41][C:42]([F:43])([F:44])[F:45])[c:31]([C:36]([CH3:37])([CH3:38])[CH3:39])[cH:32][c:33]([CH3:35])[cH:34]1.[CH3:3][CH2:4][O:5][C:6](=[O:7])[CH2:8][P:9]([O:10][CH2:11][CH3:12])([O:13][CH2:14][CH3:15])=[O:16].[H-:2].[Na+:1].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[CH3:3][CH2:4][O:5][C:6](=[O:7])[CH:8]=[C:17]([CH3:18])[c:20]1[cH:21][c:22]2[c:23]([s:24]1)[cH:25][cH:26][cH:27][c:28]2-[c:29]1[c:30]([O:40][CH2:41][C:42]([F:43])([F:44])[F:45])[c:31]([C:36]([CH3:37])([CH3:38])[CH3:39])[cH:32][c:33]([CH3:35])[cH:34]1참가 물질
6
반응물 5
생성물 1
출처 및 근거
- ORD 기록
- ord-006ed99643e94ca6834eb690a127a65b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
반응 노트
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