HRID2327229

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID13405

p-Toluoyl chloride

C8H7ClO

结构：CN(C)C(=O)C(NCCCNC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

HCID58378184

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)N(CCCNC(=O)OC(C)(C)C)C(C(=O)N(C)C)c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)cc1

HCID58378188

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b06cda2b056f4b3db17909b58fee2ebb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:20]([C:21](=[O:22])[N:23]([CH3:24])[CH3:25])[NH:26][CH2:27][CH2:28][CH2:29][NH:30][C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[n:10][c:11]2[cH:12][c:13]([Cl:19])[cH:14][cH:15][c:16]2[c:17]1=[O:18].[CH2:55]([Cl:56])[Cl:57].[CH3:38][c:39]1[cH:40][cH:41][c:42]([C:43](=[O:44])[Cl:45])[cH:46][cH:47]1.[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:20]([C:21](=[O:22])[N:23]([CH3:24])[CH3:25])[N:26]([CH2:27][CH2:28][CH2:29][NH:30][C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[C:43]([c:42]2[cH:41][cH:40][c:39]([CH3:38])[cH:47][cH:46]2)=[O:44])[n:10][c:11]2[cH:12][c:13]([Cl:19])[cH:14][cH:15][c:16]2[c:17]1=[O:18]