HRID800661

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2794191

2-(4-Chlorophenoxy)ethanamine

C8H10ClNO

结构：COc1ccc(C(=O)Nc2cc(C(=O)O)ccc2C)cc1OC

HCID3600179

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)Nc2cc(C(=O)NCCOc3ccc(Cl)cc3)ccc2C)cc1OC

HCID22636102

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e570cad1fccc4b3ca84ab2bf8d89974c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:57]([Cl:58])[Cl:59].[CH3:13][O:14][c:15]1[cH:16][c:17]([C:18](=[O:19])[NH:20][c:21]2[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][c:29]2[CH3:30])[cH:31][cH:32][c:33]1[O:34][CH3:35].[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH3:60][N:61]([CH3:62])[c:63]1[cH:64][cH:65][n:66][cH:67][cH:68]1.[Cl:36][c:37]1[cH:38][cH:39][c:40]([O:41][CH2:42][CH2:43][NH2:44])[cH:45][cH:46]1.[ClH:1].[OH:47][n:48]1[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[CH3:13][O:14][c:15]1[cH:16][c:17]([C:18](=[O:19])[NH:20][c:21]2[cH:22][c:23]([C:24](=[O:26])[NH:44][CH2:43][CH2:42][O:41][c:40]3[cH:39][cH:38][c:37]([Cl:36])[cH:46][cH:45]3)[cH:27][cH:28][c:29]2[CH3:30])[cH:31][cH:32][c:33]1[O:34][CH3:35]