HRID1234226

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

2 次

HCID3672

Ibuprofen

C13H18O2

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID67095973

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(Cc2c(Cl)cncc2Cl)OC(=O)C(C)c2ccc(CC(C)C)cc2)cc1OC

HCID25182270

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d07d19d9dec43d98662b66b9af69a04
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:2]([N:3]=[C:4]=[N:5][CH2:6][CH2:7][CH2:8][N:9]([CH3:10])[CH3:11])[CH3:12].[CH2:35]([CH:36]([CH3:37])[CH3:38])[c:39]1[cH:40][cH:41][c:42]([CH:45]([C:46](=[O:47])[OH:48])[CH3:49])[cH:43][cH:44]1.[CH2:64]([Cl:65])[CH2:66][Cl:67].[CH3:52][N:53]([CH3:54])[c:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1.[Cl-:50].[Cl:14][c:15]1[cH:16][n:17][cH:18][c:19]([Cl:34])[c:20]1[CH2:21][CH:22]([OH:23])[c:24]1[cH:25][c:26]([O:32][CH3:33])[c:27]([O:30][CH3:31])[cH:28][cH:29]1.[Cl:61][CH2:62][Cl:63].[ClH:13].[ClH:1].[NH4+:51]>>[Cl:14][c:15]1[cH:16][n:17][cH:18][c:19]([Cl:34])[c:20]1[CH2:21][CH:22]([O:23][C:46]([CH:45]([c:42]1[cH:41][cH:40][c:39]([CH2:35][CH:36]([CH3:37])[CH3:38])[cH:44][cH:43]1)[CH3:49])=[O:47])[c:24]1[cH:25][c:26]([O:32][CH3:33])[c:27]([O:30][CH3:31])[cH:28][cH:29]1