Hydrochloric Acid → 2-[[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-[4-(6-hydroxy-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-4-oxobutanoic acid

HRID 2157994

Reaction equation

HRID 2157994 reaction equation
[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:3][O:4][C:5]([CH:6]([CH2:7][C:8](=[O:9])[N:10]1[CH2:11][CH2:12][CH:13]([N:16]2[C:17](=[O:27])[NH:18][c:19]3[cH:20][cH:21][c:22]([OH:26])[cH:23][c:24]3[CH2:25]2)[CH2:14][CH2:15]1)[CH2:28][c:29]1[cH:30][c:31]([Cl:40])[c:32]([NH2:39])[c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]1)=[O:41].[ClH:42].[Li+:2].[OH-:1].[OH2:43]>>[O:4]=[C:5]([CH:6]([CH2:7][C:8](=[O:9])[N:10]1[CH2:11][CH2:12][CH:13]([N:16]2[C:17](=[O:27])[NH:18][c:19]3[cH:20][cH:21][c:22]([OH:26])[cH:23][c:24]3[CH2:25]2)[CH2:14][CH2:15]1)[CH2:28][c:29]1[cH:30][c:31]([Cl:40])[c:32]([NH2:39])[c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]1)[OH:41]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 69071696Methyl 2-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-[4-(6-hydroxy-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-4-oxobutanoate

Product 1

HCID 686761572-[[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-[4-(6-hydroxy-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-4-oxobutanoic acid

Sources & evidence

ORD record
ord-e0595ad76d49419c965356ec266312e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

Loading…