HRID201162

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID291786

5-Bromo-2-(methylsulfanyl)pyrimidine-4-carboxylic acid

C6H5BrN2O2S

HCID14666226

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=S)Sc1cnccc1NC(=O)c1nc(SC)ncc1Br

HCID60204371

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f24093c2cda04b558aae2b462f50960f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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