Acetonitrile → HCID 15017543, compound

HRID 1234283Notes

Reaction equation

HRID 1234283 reaction equation
[CH3:31][C:32]#[N:33].[F:6][C:7]([c:8]1[c:9]([NH:14][S:15](=[O:16])(=[O:17])[c:18]2[n:19][n:20]3[c:21]([n:22][c:23]([CH3:27])[cH:24][c:25]3[OH:26])[n:28]2)[cH:10][cH:11][cH:12][cH:13]1)([F:29])[F:30].[P:1]([Cl:2])([Cl:3])([Cl:4])=[O:5]>>[Cl:3][c:25]1[n:20]2[n:19][c:18]([S:15]([NH:14][c:9]3[c:8]([C:7]([F:6])([F:29])[F:30])[cH:13][cH:12][cH:11][cH:10]3)(=[O:16])=[O:17])[n:28][c:21]2[n:22][c:23]([CH3:27])[cH:24]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 24813Phosphorus oxychlorideHCID 178429186HCID 178429186, compound

Product 1

HCID 15017543HCID 15017543, compound

Sources & evidence

ORD record
ord-9f595dd9f2434c9e91a2312fb3ca9501
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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