HRID1221870

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：C=CCC(CC=C)(C(=O)OC(C)(C)C)C(CC(C)C)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O

HCID23555221

未命名化合物

PRODUCTS

生成物

结构：C=CCC(CC=C)(C(=O)O)C(CC(C)C)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O

HCID22288232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17070954cc834b9b86e062fbfc0d6f1a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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