(2-Aminophenyl)(pyrrolidin-1-yl)methanone → Diethyl(3-methoxy-4-{[4-{[2-(pyrrolidin-1-ylcarbonyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate

HRID 204224Notes

Reaction equation

HRID 204224 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][c:12]([O:28][CH3:29])[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.[N:30]1([C:35](=[O:36])[c:37]2[c:38]([NH2:39])[cH:40][cH:41][cH:42][cH:43]2)[CH2:31][CH2:32][CH2:33][CH2:34]1>>[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH2:9][c:10]1[cH:11][c:12]([O:28][CH3:29])[c:13]([NH:16][c:17]2[n:18][cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[c:21]([NH:39][c:38]3[c:37]([C:35]([N:30]4[CH2:31][CH2:32][CH2:33][CH2:34]4)=[O:36])[cH:43][cH:42][cH:41][cH:40]3)[n:22]2)[cH:14][cH:15]1

Participants

3

Reactant 2

HCID 713136(2-Aminophenyl)(pyrrolidin-1-yl)methanoneHCID 86654002Diethyl (4-{[4-chloro-5-(trifluoromethyl) pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate

Product 1

HCID 58292909Diethyl(3-methoxy-4-{[4-{[2-(pyrrolidin-1-ylcarbonyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate

Sources & evidence

ORD record
ord-432a3c49316e46b8b1c4ceb1c18ba282
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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