HRID142487

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

2 次

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID66773

2-Chloro-N-methylacetamide

C3H6ClNO

结构：COc1cc(C=CC=CC(=O)N2CCNCC2)cc(OC)c1OC

HCID53954054

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)CN1CCN(C(=O)C=CC=Cc2cc(OC)c(OC)c(OC)c2)CC1

HCID54479004

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91889db86b6a4e0bbd5344aedf0c80f3
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

[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:13]=[CH:14][CH:15]=[CH:16][C:17](=[O:18])[N:19]2[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]2)[cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:32][NH:33][C:34]([CH2:35][Cl:36])=[O:37].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH:45]([Cl:46])([Cl:47])[Cl:48].[c:49]1([CH3:50])[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:13]=[CH:14][CH:15]=[CH:16][C:17](=[O:18])[N:19]2[CH2:20][CH2:21][N:22]([CH2:35][C:34]([NH:33][CH3:32])=[O:37])[CH2:23][CH2:24]2)[cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10]