Sodium Ion → 3,4-dihydro-7-nitro-4-(2,2,2-trifluoroethyl)-2H-1,4-benzoxazine
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[C:21]([BH3-:22])#[N:23].[F:15][C:16]([CH:17]=[O:18])([F:19])[F:20].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]2[c:7]([cH:12][cH:13]1)[NH:8][CH2:9][CH2:10][O:11]2.[Na+:24].[OH2:14]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]2[c:7]([cH:12][cH:13]1)[N:8]([CH2:17][C:16]([F:15])([F:19])[F:20])[CH2:9][CH2:10][O:11]2참가 물질
6
출처 및 근거
- ORD 기록
- ord-e6ff987ff79f4cfb8a5564103ed84873
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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