Diethyl [4-({4-[(7-cyano-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl}amino)benzyl]phosphonate → Diethyl[4-({4-[(7-cyano-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl}amino)-3-methoxybenzyl]phosphonate
반응식
[Br:41][c:42]1[cH:43][cH:44][c:45]([NH:46][c:48]2[c:49]([C:50]([F:51])([F:53])[F:54])[cH:55][n:56][c:57]([NH:58][c:59]3[cH:60][cH:61][c:62]([CH2:63][P:64](=[O:65])([O-:66])[O-:67])[cH:68][c:69]3[O:70][CH3:71])[n:72]2)[c:73]2[c:74]1[CH2:75][N:76]([CH3:77])[C:47]2=[O:52].[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH2:9][c:10]1[cH:11][cH:12][c:13]([NH:16][c:17]2[n:18][cH:19][c:20]([C:37]([F:38])([F:39])[F:40])[c:21]([NH:23][c:24]3[c:25]4[c:29]([c:30]([C:33]#[N:34])[cH:31][cH:32]3)[CH2:28][N:27]([CH3:35])[C:26]4=[O:36])[n:22]2)[cH:14][cH:15]1>>[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH2:9][c:10]1[cH:11][cH:12][c:13]([NH:16][c:17]2[n:18][cH:19][c:20]([C:37]([F:38])([F:39])[F:40])[c:21]([NH:23][c:24]3[c:25]4[c:29]([c:30]([C:33]#[N:34])[cH:31][cH:32]3)[CH2:28][N:27]([CH3:35])[C:26]4=[O:36])[n:22]2)[c:14]([O:52][CH3:47])[cH:15]1참가 물질
3
반응물 2
생성물 1
출처 및 근거
- ORD 기록
- ord-58db06f753b84986a77d0bc957fe5dce
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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