HRID147047

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

HCID7914

Isopropyl ether

C6H14O

HCID19660

Carbonate

CO3-2

HCID838363

4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine

C7H10N2O4S

结构：Cc1cc2c(C(=O)OCc3ccccc3)c(O)ccc2[nH]1

HCID19077266

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)nc(Oc2ccc3[nH]c(C)cc3c2C(=O)OCc2ccccc2)n1

HCID19962760

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c1acf39ab4d410682ad78474d0d3dfd
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

[C:36](=[O:37])([O-:38])[O-:39].[CH3:22][O:23][c:24]1[n:25][c:26]([S:32]([CH3:33])(=[O:34])=[O:35])[n:27][c:28]([O:30][CH3:31])[cH:29]1.[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH:42]([O:43][CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[K+:40].[K+:41].[OH2:54].[OH:1][c:2]1[c:3]([C:12](=[O:13])[O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:4]2[cH:5][c:6]([CH3:11])[nH:7][c:8]2[cH:9][cH:10]1>>[O:1]([c:2]1[c:3]([C:12](=[O:13])[O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:4]2[cH:5][c:6]([CH3:11])[nH:7][c:8]2[cH:9][cH:10]1)[c:26]1[n:25][c:24]([O:23][CH3:22])[cH:29][c:28]([O:30][CH3:31])[n:27]1