HRID134408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID98173

α-Ethylbenzeneacetyl chloride

C10H11ClO

结构：Cc1ccc2c(c1OC(C)C)CC(C1CCNCC1)OC2CNC=O

HCID178422565

未命名化合物

PRODUCTS

生成物

结构：CCC(C(=O)N1CCC(C2Cc3c(ccc(C)c3OC(C)C)C(CNC=O)O2)CC1)c1ccccc1

HCID178454400

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7e2af832cfc45efbc807ee6f1fdf674
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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