5-amino-3-methylquinolin-4(1H)-one → Diethyl [4-({4-[(3-methyl-4-oxo-1,4-dihydroquinolin-5-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl}amino)benzyl]phosphonate

HRID 1118143Notes

Reaction equation

HRID 1118143 reaction equation
[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:24]([F:25])([F:26])[F:27])[c:21]([Cl:23])[n:22]2)[cH:14][cH:15]1.[NH2:28][c:29]1[c:30]2[c:31](=[O:40])[c:32]([CH3:39])[cH:33][nH:34][c:35]2[cH:36][cH:37][cH:38]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:24]([F:25])([F:26])[F:27])[c:21]([NH:28][c:29]3[c:30]4[c:31](=[O:40])[c:32]([CH3:39])[cH:33][nH:34][c:35]4[cH:36][cH:37][cH:38]3)[n:22]2)[cH:14][cH:15]1

Participants

3

Reactant 2

HCID 672540655-amino-3-methylquinolin-4(1H)-oneHCID 86654003Diethyl (4-{[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate

Product 1

HCID 58293056Diethyl [4-({4-[(3-methyl-4-oxo-1,4-dihydroquinolin-5-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl}amino)benzyl]phosphonate

Sources & evidence

ORD record
ord-6573bd1f7a1a48bbb3dc7ec468e1c0bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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