Acetonitrile → Chloride

HRID 290714Notes

Reaction equation

HRID 290714 reaction equation
[CH3:15][O:16][c:17]1[c:18]([N+:25](=[O:26])[O-:27])[cH:19][c:20]([CH2:21][Cl:22])[cH:23][cH:24]1.[CH3:28][C:29]#[N:30].[CH:1](=[O:2])[NH:3][CH2:4][CH2:5][CH2:6][N:7]([CH2:8][CH2:9][CH2:10][NH:11][CH:12]=[O:13])[CH3:14]>>[CH:1](=[O:2])[NH:3][CH2:4][CH2:5][CH2:6][N+:7]([CH2:8][CH2:9][CH2:10][NH:11][CH:12]=[O:13])([CH3:14])[CH2:21][c:20]1[cH:19][c:18]([N+:25](=[O:26])[O-:27])[c:17]([O:16][CH3:15])[cH:24][cH:23]1.[Cl-:22]

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 807854-(Chloromethyl)-2-nitroanisoleHCID 3084810Formamide, N,N'-[(methylimino)di-3,1-propanediyl]bis-

Product 2

HCID 312ChlorideHCID 100849Bis(3-formamidopropyl)-[(4-methoxy-3-nitrophenyl)methyl]-methylazanium

Sources & evidence

ORD record
ord-6fd22a4f69754e7c8697ee1df73f45a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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