Dimethylformamide → 4-amino-N-(4-tert-butylphenyl)-3-nitrobenzamide

HRID 1557873Notes

Reaction equation

HRID 1557873 reaction equation
[C:45]([CH3:46])([CH3:47])([CH3:48])[c:49]1[cH:50][cH:51][c:52]([NH2:53])[cH:54][cH:55]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[NH2:25][c:26]1[c:27]([N+:35](=[O:36])[O-:37])[cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[NH2:25][c:26]1[c:27]([N+:35](=[O:36])[O-:37])[cH:28][c:29]([C:30](=[O:32])[NH:53][c:52]2[cH:51][cH:50][c:49]([C:45]([CH3:46])([CH3:47])[CH3:48])[cH:55][cH:54]2)[cH:33][cH:34]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 698614-Tert-ButylanilineHCID 74115Benzoic acid, 4-amino-3-nitro-HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

Product 1

HCID 87798564-amino-N-(4-tert-butylphenyl)-3-nitrobenzamide

Sources & evidence

ORD record
ord-7f49343d1c4d41358c62790843e5cfee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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