Diethyl[(4-aminophenyl)(difluoro)methyl]-phosphonate → Diethyl[difluoro(4-{[4-{[2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)-pyrimidin-2-yl]amino}phenyl)methyl]phosphonate

HRID 2139662Notes

Reaction equation

HRID 2139662 reaction equation
[CH2:23]([CH3:24])[O:25][P:26]([O:27][CH2:28][CH3:29])(=[O:30])[C:31]([F:32])([F:33])[c:34]1[cH:35][cH:36][c:37]([NH2:40])[cH:38][cH:39]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([C:19]([F:20])([F:21])[F:22])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH3:14])[cH:15][cH:16][cH:17][cH:18]2)[n:7]1>>[c:2]1([NH:40][c:37]2[cH:36][cH:35][c:34]([C:31]([P:26]([O:25][CH2:23][CH3:24])([O:27][CH2:28][CH3:29])=[O:30])([F:32])[F:33])[cH:39][cH:38]2)[n:3][cH:4][c:5]([C:19]([F:20])([F:21])[F:22])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH3:14])[cH:15][cH:16][cH:17][cH:18]2)[n:7]1

Participants

3

Reactant 2

HCID 21088750Diethyl[(4-aminophenyl)(difluoro)methyl]-phosphonateHCID 866338612-((2-Chloro-5-(trifluoromethyl)pyrimidin-4-yl)amino)-N-methylbenzamide

Product 1

HCID 58293031Diethyl[difluoro(4-{[4-{[2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)-pyrimidin-2-yl]amino}phenyl)methyl]phosphonate

Sources & evidence

ORD record
ord-5d0634735855448ead294ba9807d86c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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