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

HRID 1224485Notes

Reaction equation

HRID 1224485 reaction equation
[CH3:1][O:2][CH2:3][CH2:4][O:5][P:6]([O:7][CH2:8][CH2:9][O:10][CH3:11])(=[O:12])[CH2:13][c:14]1[cH:15][cH:16][c:17]([NH:20][c:21]2[n:22][cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[c:25]([Cl:27])[n:26]2)[cH:18][cH:19]1.[NH2:32][c:33]1[cH:34][cH:35][c:36]([CH:44]2[CH2:45][CH2:46][CH:47]([OH:50])[CH2:48][CH2:49]2)[c:37]2[c:41]1[C:40](=[O:42])[N:39]([CH3:43])[CH2:38]2>>[CH3:1][O:2][CH2:3][CH2:4][O:5][P:6]([O:7][CH2:8][CH2:9][O:10][CH3:11])(=[O:12])[CH2:13][c:14]1[cH:15][cH:16][c:17]([NH:20][c:21]2[n:22][cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[c:25]([NH:32][c:33]3[cH:34][cH:35][c:36]([CH:44]4[CH2:45][CH2:46][CH:47]([OH:50])[CH2:48][CH2:49]4)[c:37]4[c:41]3[C:40](=[O:42])[N:39]([CH3:43])[CH2:38]4)[n:26]2)[cH:18][cH:19]1

Participants

3

Reactant 2

HCID 672549257-amino-4-(4-hydroxycyclohexyl)-2-methyl-2,3-dihydro-1H-isoindol-1-oneHCID 86654036Bis(2-methoxyethyl)(4-{[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate

Product 1

HCID 58292975Bis(2-methoxyethyl) (4-{[4-{[7-(trans-4-hydroxycyclohexyl)-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-4f6c91b63ede473d85ce3a8d8847db08
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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