Hydrochloric Acid → Diethyl (4-{[4-({7-[cis-4-(hydroxycarbamoyl)cyclohexyl]-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate

HRID 98290Notes

Reaction equation

HRID 98290 reaction equation
[CH2:17]([CH3:18])[O:19][P:20](=[O:21])([O:22][CH2:23][CH3:24])[CH2:25][c:26]1[cH:27][c:28]([O:64][CH3:65])[c:29]([NH:32][c:33]2[n:34][cH:35][c:36]([C:60]([F:61])([F:62])[F:63])[c:37]([NH:39][c:40]3[cH:41][cH:42][c:43]([CH:51]4[CH2:52][CH2:53][CH:54]([C:57](=[O:58])[OH:59])[CH2:55][CH2:56]4)[c:44]4[c:48]3[C:47](=[O:49])[N:46]([CH3:50])[CH2:45]4)[n:38]2)[cH:30][cH:31]1.[CH2:1]([P:2](=[O:3])([OH:4])[OH:5])[CH2:6][CH3:7].[CH:8]([N:9]([CH2:10][CH3:11])[CH:12]([CH3:13])[CH3:14])([CH3:15])[CH3:16].[ClH:66].[NH2:67][OH:68].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73]>>[CH2:17]([CH3:18])[O:19][P:20](=[O:21])([O:22][CH2:23][CH3:24])[CH2:25][c:26]1[cH:27][c:28]([O:64][CH3:65])[c:29]([NH:32][c:33]2[n:34][cH:35][c:36]([C:60]([F:61])([F:62])[F:63])[c:37]([NH:39][c:40]3[cH:41][cH:42][c:43]([CH:51]4[CH2:52][CH2:53][CH:54]([C:57](=[O:59])[NH:67][OH:68])[CH2:55][CH2:56]4)[c:44]4[c:48]3[C:47](=[O:49])[N:46]([CH3:50])[CH2:45]4)[n:38]2)[cH:30][cH:31]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 787HydroxylamineHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 204484Propylphosphonic acidHCID 49822346Cis-4-(7-{[2-({4-[(diethoxyphosphoryl)methyl]-2-methoxyphenyl}amino)-5-(trifluoromethyl)pyrimidin-4-yl]amino}-2-methyl-1-oxo-2,3-dihydro-1H-isoindol-4-yl)cyclohexanecarboxylic acid

Product 1

HCID 58292951Diethyl (4-{[4-({7-[cis-4-(hydroxycarbamoyl)cyclohexyl]-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate

Sources & evidence

ORD record
ord-ce8eeda134bd46abbbf3da4b64f49536
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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