Chloroform → 5-Butyl-2-(4-isothiocyanatophenyl)pyrimidine

HRID 178714Notes

Reaction equation

HRID 178714 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][n:7][c:8](-[c:11]2[cH:12][cH:13][c:14]([NH:17][C:18]([S-:19])=[S:20])[cH:15][cH:16]2)[n:9][cH:10]1.[CH2:21]([NH+:22]([CH2:23][CH3:24])[CH2:25][CH3:26])[CH3:27].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH:33]([Cl:34])([Cl:35])[Cl:36].[Cl:28][C:29]([O:30][CH3:31])=[O:32]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][n:7][c:8](-[c:11]2[cH:12][cH:13][c:14]([N:17]=[C:18]=[S:19])[cH:15][cH:16]2)[n:9][cH:10]1

Participants

6

Reactant 5

HCID 6212ChloroformHCID 6586Methyl chloroformateHCID 8471TriethylamineHCID 1385867TriethylammoniumHCID 178441248HCID 178441248, compound

Product 1

HCID 146189505-Butyl-2-(4-isothiocyanatophenyl)pyrimidine

Sources & evidence

ORD record
ord-f2b16e3f9db0445c841e9ea7b667d182
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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