HRID2341924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6372

Chlorodifluoromethane

CHClF2

HCID19660

Carbonate

CO3-2

结构：CCc1[nH]c2c(Cl)ccc(OCC(=O)OC)c2c(=O)c1Cc1ccc(C(=O)C(C)(C)C)cc1

HCID67456401

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2c(Cl)ccc(OCC(=O)OC)c2c(OC(F)F)c1Cc1ccc(C(=O)C(C)(C)C)cc1

HCID67456452

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-efe4ca759769433eaa1d33c3b8d77714
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

[C:39](=[O:40])([O-:41])[O-:42].[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]2[c:8](=[O:32])[c:9]([CH2:19][c:20]3[cH:21][cH:22][c:23]([C:26]([C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[cH:24][cH:25]3)[c:10]([CH2:17][CH3:18])[nH:11][c:12]2[c:13]([Cl:16])[cH:14][cH:15]1)=[O:33].[CH3:34][N:35]([CH3:36])[CH:37]=[O:38].[Cl:45][CH:46]([F:47])[F:48].[K+:43].[K+:44].[OH2:49]>>[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]2[c:8]([O:32][CH:46]([F:47])[F:48])[c:9]([CH2:19][c:20]3[cH:21][cH:22][c:23]([C:26]([C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[cH:24][cH:25]3)[c:10]([CH2:17][CH3:18])[n:11][c:12]2[c:13]([Cl:16])[cH:14][cH:15]1)=[O:33]