Dimethylformamide → N-(3-trifluoromethoxy-phenyl)-malonamic acid benzyl ester

HRID 122697Notes

Reaction equation

HRID 122697 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:60][CH2:61][Cl:62].[F:24][C:25]([O:26][c:27]1[cH:28][c:29]([NH2:33])[cH:30][cH:31][cH:32]1)([F:34])[F:35].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[C:1]([CH2:2][C:3](=[O:5])[NH:33][c:29]1[cH:28][c:27]([O:26][C:25]([F:24])([F:34])[F:35])[cH:32][cH:31][cH:30]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 9886HexafluorophosphateHCID 737533-(Trifluoromethoxy)anilineHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 22247814Benzyl malonate

Product 1

HCID 69284656N-(3-trifluoromethoxy-phenyl)-malonamic acid benzyl ester

Sources & evidence

ORD record
ord-6deb6115a03042e889742c5b639b5f45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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