Hydrochloric Acid → 6-Methoxy-7-((1-(2-methylsulphonylethyl)piperidin-4-yl)methoxy)-3-((pivaloyloxy)methyl)-3,4-dihydroquinazolin-4-one

HRID 1138637Notes

Reaction equation

HRID 1138637 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH2:52]([Cl:53])[Cl:54].[CH3:2][O:3][c:4]1[cH:5][c:6]2[c:7](=[O:30])[n:8]([CH2:22][O:23][C:24]([C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[cH:9][n:10][c:11]2[cH:12][c:13]1[O:14][CH2:15][CH:16]1[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:50][OH:51].[CH:44](=[CH2:45])[S:46](=[O:47])(=[O:48])[CH3:49].[ClH:1].[K+:42].[K+:43]>>[CH3:2][O:3][c:4]1[cH:5][c:6]2[c:7](=[O:30])[n:8]([CH2:22][O:23][C:24]([C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[cH:9][n:10][c:11]2[cH:12][c:13]1[O:14][CH2:15][CH:16]1[CH2:17][CH2:18][N:19]([CH2:45][CH2:44][S:46](=[O:47])(=[O:48])[CH3:49])[CH2:20][CH2:21]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 887MethanolHCID 6344DichloromethaneHCID 8471TriethylamineHCID 19354Methyl vinyl sulfoneHCID 19660Carbonate IonHCID 11058522(6-Methoxy-4-oxo-7-(piperidin-4-ylmethoxy)quinazolin-3(4H)-yl)methyl pivalate

Product 1

HCID 220308326-Methoxy-7-((1-(2-methylsulphonylethyl)piperidin-4-yl)methoxy)-3-((pivaloyloxy)methyl)-3,4-dihydroquinazolin-4-one

Sources & evidence

ORD record
ord-78f4a7a848444cd888c6796583e14796
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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