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

HRID 1118860Notes

Reaction equation

HRID 1118860 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][C:8]1=[N:13][C:12]([CH:14]([F:15])[F:16])([c:17]2[c:18]([F:33])[cH:19][cH:20][c:21]([NH:23][C:24](=[O:25])[c:26]3[n:27][cH:28][c:29]([Br:32])[cH:30][cH:31]3)[cH:22]2)[CH2:11][O:10][CH2:9]1)([CH3:5])([CH3:6])[CH3:34].[CH3:42][OH:43].[ClH:35].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1>>[NH2:7][C:8]1=[N:13][C:12]([CH:14]([F:15])[F:16])([c:17]2[c:18]([F:33])[cH:19][cH:20][c:21]([NH:23][C:24](=[O:25])[c:26]3[n:27][cH:28][c:29]([Br:32])[cH:30][cH:31]3)[cH:22]2)[CH2:11][O:10][CH2:9]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 312751,4-DioxaneHCID 66665653(5-{5-[(5-Bromo-pyridine-2-carbonyl)amino]-2-fluoro-phenyl}-5-difluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl)-carbamic acid tert-butyl ester

Product 1

HCID 509145465-Bromo-pyridine-2-carboxylic acid[3-(5-amino-3-difluoromethyl-3,6-dihydro-2H-[1,4]oxazin-3-yl)-4-fluoro-phenyl]-amide

Sources & evidence

ORD record
ord-67bc8d6bd51948c59ef633493e8e2a2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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