HRID813214

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：CC(C)(C)OC(=O)N1CCC(Cc2ccccc2)(C(=O)c2ccc3c(c2)c(C#N)cn3S(=O)(=O)c2ccccc2)C1

HCID66687494

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Cc2ccccc2)(C(=O)c2ccc3[nH]cc(C#N)c3c2)C1

HCID66687689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c835fb1d61f4bce9c933a7e0a976338
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

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