HRID1116825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID67340

Hexanoyl chloride

C6H11ClO

结构：COc1cccc(C(=O)Nc2ccc(OCCN)c(-c3ccnn3C)c2)c1

HCID46833678

未命名化合物

PRODUCTS

生成物

结构：CCCCCC(=O)NCCOc1ccc(NC(=O)c2cccc(OC)c2)cc1-c1ccnn1C

HCID57814635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3de5c6a47f7412689a5490522466fb3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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