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

HRID 1204918Notes

Reaction equation

HRID 1204918 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][cH:30][c:31]([C:34](=[O:35])[OH:36])[n:32][cH:33]1.[CH2:48]([Cl:49])[CH2:50][Cl:51].[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[CH3:70][CH2:71][CH2:72][CH2:73][CH2:74][CH3:75].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:47].[OH2:63].[OH:37][n:38]1[c:39]2[c:40]([cH:41][cH:42][cH:43][cH:44]2)[n:45][n:46]1>>[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[cH:30][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

9

Reactant 8

HCID 111,2-DichloroethaneHCID 962Water2×HCID 6228DimethylformamideHCID 8058HexaneHCID 8857Ethyl Acetate2×HCID 757711-HydroxybenzotriazoleHCID 124007345-Cyanopyridine-2-carboxylic acidHCID 66665663[5-(5-Amino-2-fluoro-phenyl)-5-difluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl]-carbamic acid tert-butyl ester

Product 1

HCID 66665640tert-butyl N-[5-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-fluorophenyl]-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]carbamate

Sources & evidence

ORD record
ord-a617b541c7a041df8ac7a96db399fec4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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