Acetonitrile → HCID 13588352, compound

HRID 2335931Notes

Reaction equation

HRID 2335931 reaction equation
[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][cH:6][c:7]([NH2:8])[cH:9][cH:10]1.[CH3:37][C:38]#[N:39].[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cl:11][c:12]1[c:13]([C:14](=[O:15])[OH:16])[c:17]([Cl:27])[c:18]([N+:24](=[O:25])[O-:26])[cH:19][c:20]1[N+:21](=[O:22])[O-:23]>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][cH:6][c:7]([NH:8][c:17]2[c:13]([C:14](=[O:15])[OH:16])[c:12]([Cl:11])[c:20]([N+:21](=[O:22])[O-:23])[cH:19][c:18]2[N+:24](=[O:25])[O-:26])[cH:9][cH:10]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 90764-EthoxyanilineHCID 81531DiisopropylethylamineHCID 2963442,6-dichloro-3,5-dinitrobenzoic acid

Product 1

HCID 13588352HCID 13588352, compound

Sources & evidence

ORD record
ord-012466679ec14de387f243895be74448
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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