Dimethylformamide → 3-(3-nitropyridin-4-yl)-N-(2-phenylpropan-2-yl)benzamide

HRID 2313639Notes

Reaction equation

HRID 2313639 reaction equation
[CH:11]([N:12]([CH:13]([CH3:14])[CH3:15])[CH2:16][CH3:17])([CH3:18])[CH3:19].[N+:20](=[O:21])([O-:22])[c:23]1[cH:24][n:25][cH:26][cH:27][c:28]1-[c:29]1[cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:35][cH:36][cH:37]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[c:1]1([C:7]([CH3:8])([CH3:9])[NH2:10])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[c:1]1([C:7]([CH3:8])([CH3:9])[NH:10][C:32]([c:31]2[cH:30][c:29](-[c:28]3[c:23]([N+:20](=[O:21])[O-:22])[cH:24][n:25][cH:26][cH:27]3)[cH:37][cH:36][cH:35]2)=[O:33])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 68509CumylamineHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 592337903-(3-Nitropyridin-4-yl)benzoic acid

Product 1

HCID 592336923-(3-nitropyridin-4-yl)-N-(2-phenylpropan-2-yl)benzamide

Sources & evidence

ORD record
ord-b9d40cce51884820bef8d375322b4757
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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