HRID1126175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

结构：COc1ccc(Cl)cc1C(=NC#N)N=c1sc(C(C)(C)C)cn1CC1(OC(C)=O)CCC1

HCID86623440

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cl)cc1C(=NC#N)N=c1sc(C(C)(C)C)cn1CC1(O)CCC1

HCID25172289

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-831923813fee44ca8d652d87ab9324e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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