Acetonitrile → HCID 14772191, compound

HRID 2347839Notes

Reaction equation

HRID 2347839 reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4](-[c:9]2[n:10][c:11](-[c:14]3[cH:15][c:16]([O:20][CH3:21])[cH:17][cH:18][cH:19]3)[n:12][nH:13]2)[cH:5][cH:6][cH:7][cH:8]1.[CH3:22][c:23]1[cH:24][cH:25][c:26]([N:29]=[C:30]=[O:31])[cH:27][cH:28]1.[CH3:32][C:33]#[N:34]>>[CH2:1]([CH3:2])[c:3]1[c:4](-[c:9]2[n:10][c:11](-[c:14]3[cH:15][c:16]([O:20][CH3:21])[cH:17][cH:18][cH:19]3)[n:12][n:13]2[C:30]([NH:29][c:26]2[cH:25][cH:24][c:23]([CH3:22])[cH:28][cH:27]2)=[O:31])[cH:5][cH:6][cH:7][cH:8]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 693254-Methylphenyl isocyanateHCID 1220003-(2-Ethylphenyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole

Product 1

HCID 14772191HCID 14772191, compound

Sources & evidence

ORD record
ord-74697cf290de4e959d57216df8fe99c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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