Hydrogen Peroxide → tert-butyl N-[2-methyl-1-[(3-oxo-1,5-dihydro-2,4,3lambda5-benzodioxaphosphepin-3-yl)oxy]-4-(2-pentyl-1,3-benzoxazol-5-yl)butan-2-yl]carbamate

HRID 125273Notes

Reaction equation

HRID 125273 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]([CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]2[c:15]([n:16][c:17]([CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[o:18]2)[cH:24]1)([CH3:25])[CH2:26][OH:27])=[O:28].[CH2:34]([N:35]([CH2:36][CH3:48])[P:37]1[O:38][CH2:39][c:40]2[c:41]([cH:44][cH:45][cH:46][cH:47]2)[CH2:42][O:43]1)[CH3:49].[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[Na+:52].[Na+:53].[O-:54][S:55]([O-:56])(=[S:57])=[O:58].[OH:50][OH:51].[nH:29]1[cH:30][n:31][n:32][n:33]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]([CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]2[c:15]([n:16][c:17]([CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[o:18]2)[cH:24]1)([CH3:25])[CH2:26][O:27][P:37]1(=[O:54])[O:38][CH2:39][c:40]2[c:41]([cH:44][cH:45][cH:46][cH:47]2)[CH2:42][O:43]1)=[O:28]

Participants

9

Reactant 8

HCID 784Hydrogen PeroxideHCID 923Sodium ion2×HCID 1084Thiosulfate ionHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 41968792,4,3-Benzodioxaphosphepin-3-amine, N,N-diethyl-1,5-dihydro-HCID 77569342tert-butyl N-[1-hydroxy-2-methyl-4-(2-pentyl-1,3-benzoxazol-5-yl)butan-2-yl]carbamateHCID 178418441HCID 178418441, compound

Product 1

HCID 77569860tert-butyl N-[2-methyl-1-[(3-oxo-1,5-dihydro-2,4,3lambda5-benzodioxaphosphepin-3-yl)oxy]-4-(2-pentyl-1,3-benzoxazol-5-yl)butan-2-yl]carbamate

Sources & evidence

ORD record
ord-d8e3fd610a504d5192c556488e319cb6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…