Acetonitrile → 3,5-Dinitro-1-carboxy-2-(benzyl)aminobenzene

HRID 2311331Notes

Reaction equation

HRID 2311331 reaction equation
[CH3:25][C:26]#[N:27].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([Cl:16])[c:6]([C:13](=[O:14])[OH:15])[cH:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]1.[NH2:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:6]([C:13](=[O:14])[OH:15])[cH:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 7504BenzylamineHCID 8471TriethylamineHCID 172472-Chloro-3,5-dinitrobenzoic acid

Product 1

HCID 221007993,5-Dinitro-1-carboxy-2-(benzyl)aminobenzene

Sources & evidence

ORD record
ord-b40391ec409347f4b3d8769249c1bdb6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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