HRID1135979

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

HCID57791763

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(C)[nH]c(C)c1C(=O)Cc1ccc(F)c(C(=O)N2CCC(OC)CC2)c1

HCID57791818

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9272950dd4194dc28e5642f06bc92556
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

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