HRID1545053

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID241752

3-(Chloromethyl)benzoic acid

C8H7ClO2

HCID59683214

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(CCl)c1

HCID57813496

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b58cffeee3434ec8b60f3eda772f9ed4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:34]([Cl:35])[CH2:36][Cl:37].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[Cl:23][CH2:24][c:25]1[cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32][cH:33]1.[Cl:55][CH2:56][Cl:57].[NH2:1][CH2:2][c:3]1[c:4]([NH:16][CH:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[c:5]2[c:6]([n:7][c:8]1[CH2:9][CH3:10])[n:11]([CH2:14][CH3:15])[n:12][cH:13]2.[OH:38][n:39]1[c:40]2[c:41]([cH:42][cH:43][cH:44][cH:45]2)[n:46][n:47]1>>[NH:1]([CH2:2][c:3]1[c:4]([NH:16][CH:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[c:5]2[c:6]([n:7][c:8]1[CH2:9][CH3:10])[n:11]([CH2:14][CH3:15])[n:12][cH:13]2)[C:28]([c:27]1[cH:26][c:25]([CH2:24][Cl:23])[cH:33][cH:32][cH:31]1)=[O:29]