Chloride → 3-[[5-amino-4-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]pyrimidin-2-yl]amino]-4-[(2,4-dimethoxyphenyl)methylamino]benzonitrile
반응식
[C:43](=[O:44])([OH:45])[O-:46].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[c:8]([NH:15][c:16]3[n:17][cH:18][c:19]([N+:34]([O-:35])=[O:36])[c:20]([NH:22][CH:23]4[CH2:24][CH2:25][O:26][c:27]5[cH:28][cH:29][c:30]([F:33])[cH:31][c:32]54)[n:21]3)[cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]2)[cH:37][cH:38][c:39]([O:41][CH3:42])[cH:40]1.[CH3:48][OH:49].[Cl-:51].[Na+:47].[Na+:50].[OH2:57]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[c:8]([NH:15][c:16]3[n:17][cH:18][c:19]([NH2:34])[c:20]([NH:22][CH:23]4[CH2:24][CH2:25][O:26][c:27]5[cH:28][cH:29][c:30]([F:33])[cH:31][c:32]54)[n:21]3)[cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]2)[cH:37][cH:38][c:39]([O:41][CH3:42])[cH:40]1참가 물질
8
반응물 7
생성물 1
출처 및 근거
- ORD 기록
- ord-f9e7258d4b17451293370a9ae1d079ca
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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