HRID943672

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID17156044

N-[(3-Methoxyphenyl)methyl]propan-2-amine

C11H17NO

HCID59421256

Ethyl 4-(2-fluorophenyl)-2-(methylthio)-5-pyrimidinecarboxylate

C14H13FN2O2S

PRODUCTS

生成物

结构：COc1cccc(CN(C(=O)c2cnc(SC)nc2-c2ccccc2F)C(C)C)c1

HCID59421144

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85ee8769129e441cb86d49f8924fb1bf
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:29][O:30][c:31]1[cH:32][c:33]([CH2:34][NH:35][CH:36]([CH3:37])[CH3:38])[cH:39][cH:40][cH:41]1.[CH3:51][CH2:52][OH:53].[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[Cl:23][C:24]([C:25]([Cl:26])=[O:27])=[O:28].[Cl:55][CH2:56][Cl:57].[F:1][c:2]1[c:3](-[c:8]2[n:9][c:10]([S:19][CH3:20])[n:11][cH:12][c:13]2[C:14]([O:16][CH2:15][CH3:17])=[O:18])[cH:4][cH:5][cH:6][cH:7]1.[Na+:22].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH-:21].[OH2:54]>>[F:1][c:2]1[c:3](-[c:8]2[n:9][c:10]([S:19][CH3:20])[n:11][cH:12][c:13]2[C:14](=[O:16])[N:35]([CH2:34][c:33]2[cH:32][c:31]([O:30][CH3:29])[cH:41][cH:40][cH:39]2)[CH:36]([CH3:37])[CH3:38])[cH:4][cH:5][cH:6][cH:7]1