Cyanide → 1-n-Butyl-3-(p-chloro-alpha,alpha-dimethylbenzyl)-1-ethylurea

HRID 1559601Notes

Reaction equation

HRID 1559601 reaction equation
[C-:14]#[N:15].[CH2:16]([CH2:17][CH2:18][CH3:19])[NH:20][CH2:21][CH3:22].[CH2:23]([C:24]([CH3:25])=[O:26])[CH:27]([CH3:28])[CH3:29].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6]([CH3:7])([CH3:8])[N:9]=[C:10]=[O:11])[cH:12][cH:13]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6]([CH3:7])([CH3:8])[NH:9][C:10](=[O:11])[N:20]([CH2:16][CH2:17][CH2:18][CH3:19])[CH2:21][CH3:22])[cH:12][cH:13]1

Participants

5

Reactant 4

HCID 5975CyanideHCID 7909Methyl Isobutyl KetoneHCID 25914ButylethylamineHCID 131183231-Chloro-4-(2-isocyanatopropan-2-yl)benzene

Product 1

HCID 544416831-n-Butyl-3-(p-chloro-alpha,alpha-dimethylbenzyl)-1-ethylurea

Sources & evidence

ORD record
ord-e36d2a3ae994407cbebef9170faa2de7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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