HRID307346

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

HCID12249

1-Propanamine, N,2-dimethyl-

C5H13N

HCID24386

Thionyl chloride

Cl2OS

结构：Cc1cc2c(cc1Cl)NC(=O)CC(c1cccc(-c3ccnc(CO)c3)c1)=N2

HCID22317726

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2c(cc1Cl)NC(=O)CC(c1cccc(-c3ccnc(CN(C)CC(C)C)c3)c1)=N2

HCID22317964

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9eb1f1c0687243fa9c43b92d28c63c39
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

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