Acetonitrile → N-[2,6-Bis(1-methylethyl)phenyl]-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)urea

HRID 1228374Notes

Reaction equation

HRID 1228374 reaction equation
[CH3:28][C:29]#[N:30].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([N:13]=[C:14]=[O:15])[c:6]([CH:10]([CH3:11])[CH3:12])[cH:7][cH:8][cH:9]1.[NH2:16][c:17]1[n:18][c:19](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[n:20][s:21]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([NH:13][C:14](=[O:15])[NH:16][c:17]2[n:18][c:19](-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[n:20][s:21]2)[c:6]([CH:10]([CH3:11])[CH3:12])[cH:7][cH:8][cH:9]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 285611,2,4-Thiadiazol-5-amine, 3-phenyl-HCID 922592,6-Diisopropylphenyl isocyanate

Product 1

HCID 19780344N-[2,6-Bis(1-methylethyl)phenyl]-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)urea

Sources & evidence

ORD record
ord-3151763b15b149168e98a74c43fb777a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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