HRID1548014

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)CCCC1

HCID86623438

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)CCCC1

HCID25172084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e412a1b42ad46edb53d4f5c7622b5fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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