HRID288948

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID674

Dimethylamine

C2H7N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID24386

Thionyl chloride

Cl2OS

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

HCID18613355

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN(C)c1cc2c(cc1Cl)NC(=O)CC(c1cccc(-n3nncc3CN(C)C)c1)=N2

HCID10277464

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8120f1da39d421187e537283dbd798f
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

[CH3:38][NH:39][CH3:40].[Cl-:37].[Cl:1][c:2]1[c:3]([N:27]([CH3:28])[CH2:29][CH:30]([CH3:31])[CH3:32])[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:33]([Cl:34])([Cl:35])=[O:36]>>[Cl:1][c:2]1[c:3]([N:27]([CH3:28])[CH2:29][CH:30]([CH3:31])[CH3:32])[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][N:39]([CH3:38])[CH3:40])[cH:15][cH:16][cH:17]1)=[N:11]2