Dimethylformamide → N-(2-amino-4-chloro-5-(trifluoromethyl)phenyl)-3-(3-oxocyclobutyl)propanamide

HRID 122866

Reaction equation

HRID 122866 reaction equation
[CH3:40][N+:41]([CH3:42])=[C:43]([N:44]([CH3:45])[CH3:46])[O:47][n:48]1[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1.[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[Cl:11][c:12]1[cH:13][c:14]([NH2:23])[c:15]([NH2:22])[cH:16][c:17]1[C:18]([F:19])([F:20])[F:21].[F:33][P-:34]([F:35])([F:36])([F:37])([F:38])[F:39].[O:1]=[C:2]1[CH2:3][CH:4]([CH2:6][CH2:7][C:8](=[O:9])[OH:10])[CH2:5]1>>[O:1]=[C:2]1[CH2:3][CH:4]([CH2:6][CH2:7][C:8](=[O:10])[NH:22][c:15]2[c:14]([NH2:23])[cH:13][c:12]([Cl:11])[c:17]([C:18]([F:19])([F:20])[F:21])[cH:16]2)[CH2:5]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27734974-Chloro-5-(trifluoromethyl)benzene-1,2-diamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 677753573-(3-Oxocyclobutyl)propanoic acid

Product 1

HCID 67773908N-(2-amino-4-chloro-5-(trifluoromethyl)phenyl)-3-(3-oxocyclobutyl)propanamide

Sources & evidence

ORD record
ord-b8f357e0991d4376a4d9492773c6935d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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