Hydrochloric Acid → Tert-butyl 2-(trifluoromethylsulfonyloxy)propanoate

HRID 1562284Notes

Reaction equation

HRID 1562284 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH3:8])[OH:9])=[O:10].[CH2:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[O:42][C:43]([CH:44]([CH2:45][c:46]1[cH:47][cH:48][c:49](-[c:52]2[c:53]([Cl:59])[cH:54][cH:55][c:56]([Cl:58])[cH:57]2)[cH:50][cH:51]1)[NH2:60])=[O:61].[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[Cl:86][CH2:87][Cl:88].[ClH:34].[F:11][C:12]([S:13]([O:14][S:15]([C:16]([F:17])([F:18])[F:19])(=[O:20])=[O:21])(=[O:22])=[O:23])([F:24])[F:25].[F:69][C:70]([S:71](=[O:72])(=[O:73])[O:74][CH:75]([C:76](=[O:77])[O:78][C:79]([CH3:80])([CH3:81])[CH3:82])[CH3:83])([F:84])[F:85].[n:26]1[c:27]([CH3:28])[cH:29][cH:30][cH:31][c:32]1[CH3:33]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH3:8])[NH:60][CH:44]([C:43]([O:42][CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)=[O:61])[CH2:45][c:46]1[cH:47][cH:48][c:49](-[c:52]2[c:53]([Cl:59])[cH:54][cH:55][c:56]([Cl:58])[cH:57]2)[cH:50][cH:51]1)=[O:10].[F:69][C:70]([S:71](=[O:72])(=[O:73])[O:74][CH:75]([C:76](=[O:77])[O:78][C:79]([CH3:80])([CH3:81])[CH3:82])[CH3:83])([F:84])[F:85]

Participants

10

Reactant 8

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 79372,6-LutidineHCID 8471TriethylamineHCID 67749Trifluoromethanesulfonic anhydrideHCID 3604460Tert-butyl 2-hydroxypropanoateHCID 13563136Tert-butyl 2-(trifluoromethylsulfonyloxy)propanoateHCID 67154132Benzyl 2-amino-3-[4-(2,5-dichlorophenyl)phenyl]propanoate

Product 2

HCID 13563136Tert-butyl 2-(trifluoromethylsulfonyloxy)propanoateHCID 67163255Benzyl 3-[4-(2,5-dichlorophenyl)phenyl]-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate

Sources & evidence

ORD record
ord-4be1cec4f7d74bd3ab9e04f9698185c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…