Acetonitrile → HCID 46898366, compound

HRID 1224321Notes

Reaction equation

HRID 1224321 reaction equation
[CH3:38][C:39]#[N:40].[P:33]([Cl:34])([Cl:35])([Cl:36])=[O:37].[c:1]1([S:7](=[O:8])(=[O:9])[C:10]([c:11]2[n:12][c:13]([C:16](=[O:17])[NH2:18])[n:14][o:15]2)([F:19])[CH:20]2[CH2:21][c:22]3[c:23]([nH:24][c:25]4[cH:26][cH:27][c:28]([Cl:31])[cH:29][c:30]34)[CH2:32]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[C:10]([c:11]2[n:12][c:13]([C:16]#[N:18])[n:14][o:15]2)([F:19])[CH:20]2[CH2:21][c:22]3[c:23]([nH:24][c:25]4[cH:26][cH:27][c:28]([Cl:31])[cH:29][c:30]34)[CH2:32]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 24813Phosphorus oxychlorideHCID 11340480HCID 11340480, compound

Product 1

HCID 46898366HCID 46898366, compound

Sources & evidence

ORD record
ord-79efb42321124ceea2ed090c190fb402
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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