Dimethylformamide → N-(2-trifluoromethyl-phenyl)-malonamic acid benzyl ester

HRID 952881Notes

Reaction equation

HRID 952881 reaction equation
[C:1]([CH2:2][C:3](=[O:4])[O-:5])(=[O:6])[O:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1.[CH:15]([N:16]([CH2:17][CH3:18])[CH:19]([CH3:20])[CH3:21])([CH3:22])[CH3:23].[Cl:59][CH2:60][Cl:61].[F:24][C:25]([c:26]1[c:27]([NH2:32])[cH:28][cH:29][cH:30][cH:31]1)([F:33])[F:34].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[C:1]([CH2:2][C:3](=[O:5])[NH:32][c:27]1[c:26]([C:25]([F:24])([F:33])[F:34])[cH:31][cH:30][cH:29][cH:28]1)(=[O:6])[O:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 69222-(Trifluoromethyl)anilineHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 22247814Benzyl malonate

Product 1

HCID 68616692N-(2-trifluoromethyl-phenyl)-malonamic acid benzyl ester

Sources & evidence

ORD record
ord-70d690742ce745b585b1c5f9feca7f33
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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