HRID182901

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

4 次

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID104727

Aluminum Cation

Al+3

HCID592729

Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate

C8H11NO2

HCID640792

1-Chloro-N,N,2-trimethylpropenylamine

C6H12ClN

HCID57791848

3-[(4-Ethoxy-1-piperidinyl)carbonyl]-4-fluorobenzeneacetic acid

C16H20FNO4

PRODUCTS

生成物

结构：CCOC1CCN(C(=O)c2cc(CC(=O)c3c(C)[nH]c(C)c3C(=O)OC)ccc2F)CC1

HCID57791805

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b587e939c9294a859e6574e1aa3c1ec8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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