HRID831369

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1084

Thiosulfate(2-)

O3S2-2

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

结构：CCCc1nc(C)n(-c2ccc(OC(C)(C)CO)cc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460686

未命名化合物

PRODUCTS

生成物

HCID57460945

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6aec3f5bcc0449b085f670c70aa4ddae
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:53]([Cl:54])[Cl:55].[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[Na+:51].[Na+:52].[OH2:45].[OH:1][CH2:2][C:3]([O:4][c:5]1[cH:6][cH:7][c:8](-[n:11]2[c:12]([CH3:36])[n:13][c:14]([CH2:33][CH2:34][CH3:35])[c:15]([CH2:18][c:19]3[cH:20][cH:21][c:22](-[c:25]4[c:26]([C:31]#[N:32])[cH:27][cH:28][cH:29][cH:30]4)[cH:23][cH:24]3)[c:16]2=[O:17])[cH:9][cH:10]1)([CH3:37])[CH3:38].[S:46]([O-:47])([O-:48])(=[O:49])=[S:50]>>[O:1]=[CH:2][C:3]([O:4][c:5]1[cH:6][cH:7][c:8](-[n:11]2[c:12]([CH3:36])[n:13][c:14]([CH2:33][CH2:34][CH3:35])[c:15]([CH2:18][c:19]3[cH:20][cH:21][c:22](-[c:25]4[c:26]([C:31]#[N:32])[cH:27][cH:28][cH:29][cH:30]4)[cH:23][cH:24]3)[c:16]2=[O:17])[cH:9][cH:10]1)([CH3:37])[CH3:38]