HRID802601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID6363

Isopropylamine

C3H9N

HCID24386

Thionyl chloride

Cl2OS

结构：CC(C)N(C)c1cc2c(cc1Cl)NC(=O)CC(c1cccc(-n3nncc3CO)c1)=N2

HCID18613108

未命名化合物

PRODUCTS

生成物

结构：CC(C)NCc1cnnn1-c1cccc(C2=Nc3cc(N(C)C(C)C)c(Cl)cc3NC(=O)C2)c1

HCID18613124

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8469290a8091466991e927d7df104d7a
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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