HRID1547556

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8058

n-Hexane

C6H14

HCID8926

Hexadecylamine

C16H35N

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID10442716

Ethyl 2-(methylthio)pyrimidine-5-carboxylate

C8H10N2O2S

PRODUCTS

生成物

HCID20503635

Ethyl 2-(hexadecylamino)-5-pyrimidinecarboxylate

C23H41N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9a1d7724192447a9bc051f9942dc5a1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:14]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[NH2:30].[CH3:1][S:2][c:3]1[n:4][cH:5][c:6]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[cH:7][n:8]1.[CH3:31][N:32]([P:33]([N:34]([CH3:35])[CH3:36])([N:37]([CH3:38])[CH3:39])=[O:40])[CH3:41].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47].[OH2:48]>>[c:3]1([NH:30][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[n:4][cH:5][c:6]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[cH:7][n:8]1