1,2-Dichloroethane → tert-butyl N-[5-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-fluorophenyl]-5-(difluoromethyl)-6,7-dihydro-2H-1,4-oxazepin-3-yl]carbamate

HRID 1127519Notes

Reaction equation

HRID 1127519 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1=[N:14][C:13]([CH:15]([F:16])[F:17])([c:18]2[c:19]([F:25])[cH:20][cH:21][c:22]([NH2:24])[cH:23]2)[CH2:12][CH2:11][O:10][CH2:9]1)=[O:26].[C:27](#[N:28])[c:29]1[cH:30][cH:31][c:32]([C:35](=[O:36])[OH:37])[n:33][cH:34]1.[CH2:38]([Cl:39])[CH2:40][Cl:41].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1=[N:14][C:13]([CH:15]([F:16])[F:17])([c:18]2[c:19]([F:25])[cH:20][cH:21][c:22]([NH:24][C:35]([c:32]3[cH:31][cH:30][c:29]([C:27]#[N:28])[cH:34][n:33]3)=[O:36])[cH:23]2)[CH2:12][CH2:11][O:10][CH2:9]1)=[O:26]

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 124007345-Cyanopyridine-2-carboxylic acidHCID 66665339Racemic [5-(5-amino-2-fluoro-phenyl)-5-difluoromethyl-2,5,6,7-tetrahydro-[1,4]oxazepin-3-yl]-carbamic acid tert-butyl ester

Product 1

HCID 66666437tert-butyl N-[5-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-fluorophenyl]-5-(difluoromethyl)-6,7-dihydro-2H-1,4-oxazepin-3-yl]carbamate

Sources & evidence

ORD record
ord-2576793780d240c6a359641d42b6ef04
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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