Acetonitrile → HCID 178433949, compound

HRID 2123991Notes

Reaction equation

HRID 2123991 reaction equation
[CH3:29][C:30]#[N:31].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[N:6]=[C:7]=[O:8])[cH:9][c:10]([F:14])[c:11]([F:13])[cH:12]1.[NH2:15][c:16]1[cH:17][c:18](-[c:23]2[n:24][n:25][c:26]([CH3:28])[nH:27]2)[cH:19][cH:20][c:21]1[Cl:22]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][C:7](=[O:8])[NH:15][c:16]2[cH:17][c:18](-[c:23]3[n:24][n:25][c:26]([CH3:28])[nH:27]3)[cH:19][cH:20][c:21]2[Cl:22])[cH:9][c:10]([F:14])[c:11]([F:13])[cH:12]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 115575832-Chloro-4,5-difluorobenzoyl IsocyanateHCID 178433948HCID 178433948, compound

Product 1

HCID 178433949HCID 178433949, compound

Sources & evidence

ORD record
ord-7d0140fdce664e23837bd78573798b06
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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