Hydrochloric Acid → 5-Chloro-pyridine-2-carboxylic acid [3-(5-amino-3-trifluoromethyl-3,6-dihydro-2H-[1,4]oxazin-3-yl)-4-fluoro-phenyl]-amide

HRID 1228333Notes

Reaction equation

HRID 1228333 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][C:8]1=[N:13][C:12]([C:14]([F:15])([F:16])[F:17])([c:18]2[c:19]([F:34])[cH:20][cH:21][c:22]([NH:24][C:25](=[O:26])[c:27]3[n:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[cH:23]2)[CH2:11][O:10][CH2:9]1)([CH3:5])([CH3:6])[CH3:35].[ClH:36].[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1>>[NH2:7][C:8]1=[N:13][C:12]([C:14]([F:15])([F:16])[F:17])([c:18]2[c:19]([F:34])[cH:20][cH:21][c:22]([NH:24][C:25](=[O:26])[c:27]3[n:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[cH:23]2)[CH2:11][O:10][CH2:9]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 66665516(5-{5-[(5-chloro-pyridine-2-carbonyl)-amino]-2-fluoro-phenyl}-5-trifluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl)-carbamic acid tert-butyl ester

Product 1

HCID 509146895-Chloro-pyridine-2-carboxylic acid [3-(5-amino-3-trifluoromethyl-3,6-dihydro-2H-[1,4]oxazin-3-yl)-4-fluoro-phenyl]-amide

Sources & evidence

ORD record
ord-114ab9beae4b48e1a2222fa9381d6a90
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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