Bicarbonate Ion → Di-tert-butyl (4-(6-(trans-4-tert-butylcyclohexyloxy)-5-(trifluoromethyl)naphthalen-2-yl)-2-methyl-4,5-dihydrooxazol-4-yl)methyl phosphate

HRID 95350Notes

Reaction equation

HRID 95350 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([O:11][c:12]2[c:13]([C:30]([F:31])([F:32])[F:33])[c:14]3[cH:15][cH:16][c:17]([C:22]4([CH2:28][OH:29])[N:23]=[C:24]([CH3:27])[O:25][CH2:26]4)[cH:18][c:19]3[cH:20][cH:21]2)[CH2:9][CH2:10]1.[C:78](=[O:79])([OH:80])[O-:81].[CH2:34]([N:35]([CH2:36][CH3:48])[P:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[CH3:49].[Cl:55][c:56]1[cH:57][cH:58][cH:59][c:60]([C:61]([O:62][OH:64])=[O:63])[cH:65]1.[Na+:71].[Na+:72].[Na+:82].[O:73]1[CH2:74][CH2:75][CH2:76][CH2:77]1.[S:66]([O-:67])([O-:68])(=[O:69])=[S:70].[nH:50]1[cH:51][n:52][n:53][n:54]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([O:11][c:12]2[c:13]([C:30]([F:31])([F:32])[F:33])[c:14]3[cH:15][cH:16][c:17]([C:22]4([CH2:28][O:29][P:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])([O:43][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:63])[N:23]=[C:24]([CH3:27])[O:25][CH2:26]4)[cH:18][c:19]3[cH:20][cH:21]2)[CH2:9][CH2:10]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 1084Thiosulfate ionHCID 8028TetrahydrofuranHCID 70297m-Chloroperbenzoic acidHCID 4251849Di-tert-butyl diethylphosphoramiditeHCID 67530443{4-[6-(trans-4-tert-Butyl-cyclohexyloxy)-5-trifluoromethyl-naphthalen-2-yl]-2-methyl-4,5-dihydro-oxazol-4-yl}-methanolHCID 178418441HCID 178418441, compound

Product 1

HCID 86642910Di-tert-butyl (4-(6-(trans-4-tert-butylcyclohexyloxy)-5-(trifluoromethyl)naphthalen-2-yl)-2-methyl-4,5-dihydrooxazol-4-yl)methyl phosphate

Sources & evidence

ORD record
ord-c0a2c7248fc04c4e84affa75a59e6097
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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