Acetonitrile → HCID 58696325, compound

HRID 311017Notes

Reaction equation

HRID 311017 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[C:9]([CH2:10][CH:11]=[CH2:12])([CH2:13][NH:14][CH3:15])[c:16]1[cH:17][c:18]([Cl:23])[c:19]([Cl:22])[cH:20][cH:21]1)=[O:24].[C:32]([CH:33]([CH3:34])[CH3:35])(=[O:36])[Cl:37].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:38][C:39]#[N:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[C:9]([CH2:10][CH:11]=[CH2:12])([CH2:13][N:14]([CH3:15])[C:32]([CH:33]([CH3:34])[CH3:35])=[O:36])[c:16]1[cH:17][c:18]([Cl:23])[c:19]([Cl:22])[cH:20][cH:21]1)=[O:24]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 62325Isobutyryl chlorideHCID 58696296HCID 58696296, compound

Product 1

HCID 58696325HCID 58696325, compound

Sources & evidence

ORD record
ord-4a5f9eb71f6d425dad0c54660024fd66
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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