Acetonitrile → HCID 59250036, compound

HRID 2321299Notes

Reaction equation

HRID 2321299 reaction equation
[CH3:25][CH:26]([CH2:27][CH2:28][O:29][N:30]=[O:31])[CH3:32].[CH3:33][C:34]#[N:35].[I:22][CH2:23][I:24].[NH2:1][c:2]1[c:3]([C:20]#[N:21])[c:4](-[c:12]2[c:13]([Cl:19])[cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[c:5]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[s:6]1>>[c:2]1([I:22])[c:3]([C:20]#[N:21])[c:4](-[c:12]2[c:13]([Cl:19])[cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[c:5]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[s:6]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 6346DiiodomethaneHCID 8053Isoamyl NitriteHCID 59250010HCID 59250010, compound

Product 1

HCID 59250036HCID 59250036, compound

Sources & evidence

ORD record
ord-df287806063347b08fc8a9823ae419b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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