HRID2157989

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID3776

Isopropanol

C3H8O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：CC(C)(C)OC(=O)C1(c2ccc(C(=O)O)cc2)CCCCC1

HCID58611848

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)c1ccc(C2(C(=O)OC(C)(C)C)CCCCC2)cc1

HCID58611868

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a109aa803f634e8cb8d03ddcc550db98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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