HRID100844

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

HCID24386

Thionyl chloride

Cl2OS

HCID31268

Pyrrolidine

C4H9N

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(-n3nncc3CN3CCCC3)c1)=N2

HCID10164294

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94b06d697c144235883b7b0df121053d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:38]1[CH2:39][CH2:40][NH:41][CH2:42]1.[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:43][CH2:44][Cl:45].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[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:41]3[CH2:40][CH2:39][CH2:38][CH2:42]3)[cH:15][cH:16][cH:17]1)=[N:11]2