HRID2334385

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID61778

Bisulfate anion

HO4S-

结构：CC1=C(C(=O)OCCC#N)C(c2cccc(Cl)c2)C(C(=O)N(C)CC=Cc2ccccc2)=C(C)N1

HCID70156418

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C(=O)O)C(c2cccc(Cl)c2)C(C(=O)N(C)CC=Cc2ccccc2)=C(C)N1

HCID70157737

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d778a766a45e461992a2efcec17911c4
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

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