7-Amino-2-methyl-2,3-dihydro-1H-isoindol-1-one → Bis(2,2,2-trifluoroethyl) [3-methoxy-4-({4-[(2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl}amino) benzyl]phosphonate

HRID 147670Notes

Reaction equation

HRID 147670 reaction equation
[Cl:1][c:2]1[n:3][c:4]([NH:12][c:13]2[c:14]([O:34][CH3:35])[cH:15][c:16]([CH2:17][P:18]([O:19][CH2:20][C:21]([F:22])([F:23])[F:24])([O:25][CH2:26][C:27]([F:28])([F:29])[F:30])=[O:31])[cH:32][cH:33]2)[n:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11].[NH2:36][c:37]1[cH:38][cH:39][cH:40][c:41]2[c:45]1[C:44](=[O:46])[N:43]([CH3:47])[CH2:42]2>>[c:2]1([NH:36][c:37]2[cH:38][cH:39][cH:40][c:41]3[c:45]2[C:44](=[O:46])[N:43]([CH3:47])[CH2:42]3)[n:3][c:4]([NH:12][c:13]2[c:14]([O:34][CH3:35])[cH:15][c:16]([CH2:17][P:18]([O:19][CH2:20][C:21]([F:22])([F:23])[F:24])([O:25][CH2:26][C:27]([F:28])([F:29])[F:30])=[O:31])[cH:32][cH:33]2)[n:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]

Participants

3

Reactant 2

HCID 450887127-Amino-2-methyl-2,3-dihydro-1H-isoindol-1-oneHCID 86654019Bis(2,2,2-trifluoroethyl) (4-{[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate

Product 1

HCID 58292948Bis(2,2,2-trifluoroethyl) [3-methoxy-4-({4-[(2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl}amino) benzyl]phosphonate

Sources & evidence

ORD record
ord-04952a24c6ee48c29ff2e181e2033efb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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