4-Methylmorpholine → tert-butyl N-[5-[5-[(5-cyano-3-methylpyridine-2-carbonyl)amino]-2-fluorophenyl]-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]carbamate

HRID 209744Notes

Reaction equation

HRID 209744 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1=[N:13][C:12]([CH:14]([F:15])[F:16])([c:17]2[c:18]([F:24])[cH:19][cH:20][c:21]([NH2:23])[cH:22]2)[CH2:11][O:10][CH2:9]1)=[O:25].[C:26](#[N:27])[c:28]1[cH:29][c:30]([CH3:37])[c:31]([C:34](=[O:35])[OH:36])[n:32][cH:33]1.[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:38][N:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[Cl:45][C:46]([O:47][CH2:48][CH:49]([CH3:50])[CH3:51])=[O:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1=[N:13][C:12]([CH:14]([F:15])[F:16])([c:17]2[c:18]([F:24])[cH:19][cH:20][c:21]([NH:23][C:34]([c:31]3[c:30]([CH3:37])[cH:29][c:28]([C:26]#[N:27])[cH:33][n:32]3)=[O:35])[cH:22]2)[CH2:11][O:10][CH2:9]1)=[O:25]

Participants

6

Reactant 5

HCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 62365Isobutyl chloroformateHCID 66665663[5-(5-Amino-2-fluoro-phenyl)-5-difluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl]-carbamic acid tert-butyl esterHCID 666658465-Cyano-3-methylpyridine-2-carboxylic acid

Product 1

HCID 66665272tert-butyl N-[5-[5-[(5-cyano-3-methylpyridine-2-carbonyl)amino]-2-fluorophenyl]-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]carbamate

Sources & evidence

ORD record
ord-5285be3e4f4c42b3b24fd6561d00d9a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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