Hydrochloric Acid → 2-(5,6-Dimethyl-1,4-diazepan-1-yl)-6-fluoroquinazoline

Reaction equation

[CH3:29][CH2:30][O:31][C:32](=[O:33])[CH3:34].[ClH:1].[F:2][c:3]1[cH:4][c:5]2[cH:6][n:7][c:8]([N:13]3[CH2:14][CH2:15][N:16]([C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH:17]([CH3:21])[CH:18]([CH3:20])[CH2:19]3)[n:9][c:10]2[cH:11][cH:12]1>>[F:2][c:3]1[cH:4][c:5]2[cH:6][n:7][c:8]([N:13]3[CH2:14][CH2:15][NH:16][CH:17]([CH3:21])[CH:18]([CH3:20])[CH2:19]3)[n:9][c:10]2[cH:11][cH:12]1

Participants

Reactant 3

HCID 313Hydrochloric Acid

HCID 8857Ethyl Acetate

HCID 59527664Tert-butyl 4-(6-fluoroquinazolin-2-yl)-6,7-dimethyl-1,4-diazepane-1-carboxylate

Product 1

HCID 595276682-(5,6-Dimethyl-1,4-diazepan-1-yl)-6-fluoroquinazoline

Sources & evidence

ORD record: ord-76a2b3d0bcd14e06b13dc9cf37b88943
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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