Sodium Ion → 2-Ethyl-7-nitro-4-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzoxazine
반응식
[C:23]([BH3-:24])#[N:25].[CH2:1]([CH3:2])[CH:3]1[O:4][c:5]2[c:6]([cH:9][cH:10][c:11]([N+:13](=[O:14])[O-:15])[cH:12]2)[NH:7][CH2:8]1.[F:17][C:18]([CH:19]=[O:20])([F:21])[F:22].[Na+:26].[OH2:16]>>[CH2:1]([CH3:2])[CH:3]1[O:4][c:5]2[c:6]([cH:9][cH:10][c:11]([N+:13](=[O:14])[O-:15])[cH:12]2)[N:7]([CH2:19][C:18]([F:17])([F:21])[F:22])[CH2:8]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-a8d5428694e642b3a1bfaa7831f1ffe5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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