Acetonitrile → HCID 67208015, compound

HRID 2342815Notes

Reaction equation

HRID 2342815 reaction equation
[C:22]([CH3:23])([CH3:24])([CH3:25])[c:26]1[c:27]([NH2:28])[cH:29][cH:30][cH:31][cH:32]1.[CH3:33][C:34]#[N:35].[Cl:1][c:2]1[c:3]([N+:19](=[O:20])[O-:21])[cH:4][n:5][c:6]2[cH:7][c:8](-[c:12]3[c:13]([CH3:18])[n:14][o:15][c:16]3[CH3:17])[cH:9][cH:10][c:11]12>>[c:2]1([NH:28][c:27]2[c:26]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:32][cH:31][cH:30][cH:29]2)[c:3]([N+:19](=[O:20])[O-:21])[cH:4][n:5][c:6]2[cH:7][c:8](-[c:12]3[c:13]([CH3:18])[n:14][o:15][c:16]3[CH3:17])[cH:9][cH:10][c:11]12

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 805742-tert-ButylanilineHCID 57465578HCID 57465578, compound

Product 1

HCID 67208015HCID 67208015, compound

Sources & evidence

ORD record
ord-cf049f4b264749a9a13199615d5d53e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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