HRID2338875

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID15462

2-Chloro-1,3,5-trimethylbenzene

C9H11Cl

HCID31268

Pyrrolidine

C4H9N

结构：COc1ccc(C(O)C(CO)NC(=O)OCc2ccccc2)cc1

HCID76513340

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(O)C(CN2CCCC2)NC(=O)OCc2ccccc2)cc1

HCID72317896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5522e062c61a4873a4b1105168c657c5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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