2-((2-Chloro-5-(trifluoromethyl)pyrimidin-4-yl)amino)-N-methylbenzamide → Bis(2,2,2-trifluoroethyl)(3-methoxy-4-{[4-{[2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate

HRID 1552317Notes

Reaction equation

HRID 1552317 reaction equation
[Cl:25][c:26]1[n:27][cH:28][c:29]([C:43]([F:44])([F:45])[F:46])[c:30]([NH:32][c:33]2[c:34]([C:35](=[O:36])[NH:37][CH3:38])[cH:39][cH:40][cH:41][cH:42]2)[n:31]1.[F:1][C:2]([CH2:3][O:4][P:5]([O:6][CH2:7][C:8]([F:9])([F:10])[F:11])(=[O:12])[CH2:13][c:14]1[cH:15][c:16]([O:21][CH3:22])[c:17]([NH2:20])[cH:18][cH:19]1)([F:23])[F:24]>>[F:1][C:2]([CH2:3][O:4][P:5]([O:6][CH2:7][C:8]([F:9])([F:10])[F:11])(=[O:12])[CH2:13][c:14]1[cH:15][c:16]([O:21][CH3:22])[c:17]([NH:20][c:26]2[n:27][cH:28][c:29]([C:43]([F:44])([F:45])[F:46])[c:30]([NH:32][c:33]3[c:34]([C:35](=[O:36])[NH:37][CH3:38])[cH:39][cH:40][cH:41][cH:42]3)[n:31]2)[cH:18][cH:19]1)([F:23])[F:24]

Participants

3

Reactant 2

HCID 866338612-((2-Chloro-5-(trifluoromethyl)pyrimidin-4-yl)amino)-N-methylbenzamideHCID 86654014Bis(2,2,2-trifluoroethyl)(4-amino-3-methoxybenzyl)phosphonate

Product 1

HCID 58293030Bis(2,2,2-trifluoroethyl)(3-methoxy-4-{[4-{[2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate

Sources & evidence

ORD record
ord-62b087c1f5d54ca3b69a6283cf9ea741
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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