Acetonitrile → HCID 135839375, compound

HRID 2154435Notes

Reaction equation

HRID 2154435 reaction equation
[CH3:31][C:32]#[N:33].[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]([CH3:30])[c:27](=[O:29])[nH:28]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]([CH3:30])[c:27](=[O:29])[nH:28]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 1358393793-(3-Amino-4-chlorophenyl)-6-methyl-1,2,4-triazin-5(2H)-one

Product 1

HCID 135839375HCID 135839375, compound

Sources & evidence

ORD record
ord-4e3b0f3820bc4dcfa7290def021f897a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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