Dichloromethane → tert-butyl 4-[3-[(6-bromo-3,4-dihydro-2H-chromen-3-yl)-[(3-chloro-4-fluorophenyl)carbamoyl]amino]propyl]-2,5-dimethylpiperazine-1-carboxylate
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH3:30])[CH2:10][N:11]([CH2:15][CH2:16][CH2:17][NH:18][CH:19]2[CH2:20][O:21][c:22]3[cH:23][cH:24][c:25]([Br:29])[cH:26][c:27]3[CH2:28]2)[CH:12]([CH3:14])[CH2:13]1.[Cl:31][c:32]1[cH:33][c:34]([N:39]=[C:40]=[O:41])[cH:35][cH:36][c:37]1[F:38].[Cl:42][CH2:43][Cl:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH3:30])[CH2:10][N:11]([CH2:15][CH2:16][CH2:17][N:18]([CH:19]2[CH2:20][O:21][c:22]3[cH:23][cH:24][c:25]([Br:29])[cH:26][c:27]3[CH2:28]2)[C:40]([NH:39][c:34]2[cH:33][c:32]([Cl:31])[c:37]([F:38])[cH:36][cH:35]2)=[O:41])[CH:12]([CH3:14])[CH2:13]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-99a543f741994c908b45186c2866f3c4
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
반응 노트
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