HRID944908

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8857

Ethyl acetate

C4H8O2

HCID15413

Methyl tert-butyl ether

C5H12O

HCID19660

Carbonate

CO3-2

结构：Cc1cccc(-c2sc(N)nc2C(=O)N2C(CNC(=O)C(F)(F)F)CC3CC32)c1

HCID178424766

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(-c2sc(N)nc2C(=O)N2C(CN)CC3CC32)c1

HCID178424762

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96a63887b14a4aad8c91363bfcb49821
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:38]([O:39][CH3:40])([CH3:41])([CH3:42])[CH3:43].[CH3:44][OH:45].[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[K+:30].[K+:31].[NH2:1][c:2]1[s:3][c:4](-[c:23]2[cH:24][c:25]([CH3:29])[cH:26][cH:27][cH:28]2)[c:5]([C:7](=[O:8])[N:9]2[CH:10]3[CH2:11][CH:12]3[CH2:13][CH:14]2[CH2:15][NH:16][C:17](=[O:18])[C:19]([F:20])([F:21])[F:22])[n:6]1.[Na+:37].[O-:32][C:33]([O-:34])=[O:35].[OH-:36]>>[NH2:1][c:2]1[s:3][c:4](-[c:23]2[cH:24][c:25]([CH3:29])[cH:26][cH:27][cH:28]2)[c:5]([C:7](=[O:8])[N:9]2[CH:10]3[CH2:11][CH:12]3[CH2:13][CH:14]2[CH2:15][NH2:16])[n:6]1