Acetonitrile → HCID 67252236, compound

HRID 2148292Notes

Reaction equation

HRID 2148292 reaction equation
[CH3:36][CH:37]([CH2:38][CH2:39][O:40][N:41]=[O:42])[CH3:43].[CH3:44][C:45]#[N:46].[Cu:31]([C:32]#[N:33])[C:34]#[N:35].[NH2:1][c:2]1[s:3][c:4](-[c:14]2[n:15][c:16]3[c:21]([cH:22][n:23]2)[N:20]([CH3:24])[C:19](=[O:25])[CH:18]([CH2:26][CH3:27])[N:17]3[CH:28]([CH3:29])[CH3:30])[c:5](-[c:7]2[cH:8][cH:9][c:10]([F:13])[cH:11][cH:12]2)[n:6]1>>[c:2]1([C:32]#[N:33])[s:3][c:4](-[c:14]2[n:15][c:16]3[c:21]([cH:22][n:23]2)[N:20]([CH3:24])[C:19](=[O:25])[CH:18]([CH2:26][CH3:27])[N:17]3[CH:28]([CH3:29])[CH3:30])[c:5](-[c:7]2[cH:8][cH:9][c:10]([F:13])[cH:11][cH:12]2)[n:6]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8053Isoamyl NitriteHCID 76777935HCID 76777935, compoundHCID 178418260HCID 178418260, compound

Product 1

HCID 67252236HCID 67252236, compound

Sources & evidence

ORD record
ord-ed9c1d713fd540f1a67ed683fe59744f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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