HRID1233367

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID8855

Butyryl chloride

C4H7ClO

HCID19660

Carbonate

CO3-2

结构：CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)[N-]c1ccc(O)cc1O

HCID178440830

未命名化合物

PRODUCTS

生成物

结构：CCCC(=O)Oc1cc(O)ccc1NC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C

HCID85116379

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf55875b27db4fceaf92d242addd8f8f
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:38]([CH2:39][CH2:40][CH3:41])(=[O:42])[Cl:43].[CH3:1][C:2](=[CH:3][C:4](=[O:5])[N-:6][c:7]1[c:8]([OH:14])[cH:9][c:10]([OH:13])[cH:11][cH:12]1)[CH:15]=[CH:16][CH:17]=[C:18]([CH:19]=[CH:20][C:21]1=[C:22]([CH3:29])[CH2:23][CH2:24][CH2:25][C:26]1([CH3:27])[CH3:28])[CH3:30].[CH3:31][N:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[CH3:53][OH:54].[Cl:50][CH2:51][Cl:52].[K+:44].[K+:45].[O-:46][C:47]([O-:48])=[O:49]>>[CH3:1][C:2](=[CH:3][C:4](=[O:5])[NH:6][c:7]1[c:8]([O:14][C:38]([CH2:39][CH2:40][CH3:41])=[O:42])[cH:9][c:10]([OH:13])[cH:11][cH:12]1)[CH:15]=[CH:16][CH:17]=[C:18]([CH:19]=[CH:20][C:21]1=[C:22]([CH3:29])[CH2:23][CH2:24][CH2:25][C:26]1([CH3:27])[CH3:28])[CH3:30]