HRID293148

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID5975

Cyanide

CN-

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl Acetate

C4H8O2

HCID68413953

未命名化合物

PRODUCTS

产物

HCID68957282

2-(4-((2-Amino-4-(butylamino)-6-methylpyrimidin-5-yl)methyl)-3-methoxyphenyl)acetonitrile

C19H25N5O

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-55aea97d0b9d498996599181fce34510
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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