Hydrochloric Acid → (RS)-3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionic acid tert-butyl ester

HRID 2159282Notes

Reaction equation

HRID 2159282 reaction equation
[C:37]([Si:38]([CH3:39])([CH3:40])[C:41]#[C:42][CH2:43][O:44][CH:45]1[CH2:46][CH2:47][CH2:48][CH2:49][O:50]1)([CH3:51])([CH3:52])[CH3:53].[C:65]([CH3:66])(=[O:67])[O:68][C:69]([CH3:70])([CH3:71])[CH3:72].[CH2:59]1[CH2:60][CH:61]=[CH:62][O:63][CH2:64]1.[CH2:75]([N+:76]([CH2:77][CH2:78][CH2:79][CH3:80])([CH2:81][CH2:82][CH2:83][CH3:84])[CH2:85][CH2:86][CH2:87][CH3:88])[CH2:89][CH2:90][CH3:91].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6](-[n:10]2[n:11][n:12][cH:13][c:14]2[CH2:15][O:16][CH:17]2[O:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:7][cH:8][cH:9]1)=[O:23].[CH3:93][OH:94].[Cl:95][CH2:96][Cl:97].[ClH:92].[F-:74].[Li:73].[N:24]([c:25]1[cH:26][c:27]([C:31]([O:32][CH3:33])=[O:34])[cH:28][cH:29][cH:30]1)=[N+:35]=[N-:36].[S:54](=[O:55])(=[O:56])([OH:57])[OH:58]>>[C:3]([c:4]1[cH:5][c:6](-[n:10]2[n:11][n:12][cH:13][c:14]2[CH2:15][O:16][CH:17]2[O:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:7][cH:8][cH:9]1)(=[O:23])[CH2:66][C:65](=[O:67])[O:68][C:69]([CH3:70])([CH3:71])[CH3:72]

Participants

13

Reactant 12

HCID 313Hydrochloric AcidHCID 887MethanolHCID 1118Sulfuric AcidHCID 6344DichloromethaneHCID 80803,4-dihydro-2H-pyranHCID 10908tert-Butyl acetateHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 3028194LithiumHCID 11240787Methyl 3-azidobenzoateHCID 12048027(RS)-3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-benzoic acid methyl esterHCID 15696080(RS)-tert.-butyl-dimethyl-[3-(tetrahydro-pyran-2-yloxy)-prop-1-ynyl]-silane

Product 1

HCID 12048028(RS)-3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionic acid tert-butyl ester

Sources & evidence

ORD record
ord-93514dc22d384deba9a1a9306fc13d20
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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