Dichloromethane → diethyl [4-({4-[(7-{trans-4-[(di-tert-butoxyphosphoryl)oxy]cyclohexyl}-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl}amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino)-3-methoxybenzyl]phosphonate
Reaction equation
[C:48]([CH3:49])([CH3:50])([CH3:51])[O:52][P:53]([O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[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:46][CH3:47])[c:13]([NH:16][c:17]2[n:18][cH:19][c:20]([C:42]([F:43])([F:44])[F:45])[c:21]([NH:23][c:24]3[c:25]4[c:29]([c:30]([CH:33]5[CH2:34][CH2:35][CH:36]([OH:39])[CH2:37][CH2:38]5)[cH:31][cH:32]3)[CH2:28][N:27]([CH3:40])[C:26]4=[O:41])[n:22]2)[cH:14][cH:15]1.[Cl:80][CH2:81][Cl:82].[OH:69][O:70][C:71]([c:72]1[cH:73][c:74]([Cl:75])[cH:76][cH:77][cH:78]1)=[O:79].[nH:64]1[cH:65][n:66][n:67][n:68]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:46][CH3:47])[c:13]([NH:16][c:17]2[n:18][cH:19][c:20]([C:42]([F:43])([F:44])[F:45])[c:21]([NH:23][c:24]3[c:25]4[c:29]([c:30]([CH:33]5[CH2:34][CH2:35][CH:36]([O:39][P:53]([O:52][C:48]([CH3:49])([CH3:50])[CH3:51])([O:54][C:55]([CH3:56])([CH3:57])[CH3:58])=[O:69])[CH2:37][CH2:38]5)[cH:31][cH:32]3)[CH2:28][N:27]([CH3:40])[C:26]4=[O:41])[n:22]2)[cH:14][cH:15]1Participants
6
Reactant 5
HCID 6344Dichloromethane
HCID 70297m-Chloroperbenzoic acid
HCID 4251849Di-tert-butyl diethylphosphoramidite
HCID 49822428Diethyl (4-{[4-{[7-(cis-4-hydroxycyclohexyl)-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate
HCID 178418441HCID 178418441, compoundProduct 1
Sources & evidence
- ORD record
- ord-0de28a892a1a4b0d8086355c9d172aaf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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