HRID1551877

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID76937

Pyrazole, 4-bromo-3,5-dimethyl-

C5H7BrN2

结构：CC1(C)OB(c2cc(C(N)=O)c3[nH]cc(C4CCS(=O)(=O)CC4)c3c2)OC1(C)C

HCID59332711

未命名化合物

PRODUCTS

生成物

结构：Cc1n[nH]c(C)c1-c1cc(C(N)=O)c2[nH]cc(C3CCS(=O)(=O)CC3)c2c1

HCID59332802

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f79d2d84ba0d4f54bae76051325e9d39
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

[Br:1][c:2]1[c:3]([CH3:8])[n:4][nH:5][c:6]1[CH3:7].[K+:38].[K+:39].[O-:40][C:41]([O-:42])=[O:43].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[O:9]=[S:10]1(=[O:37])[CH2:11][CH2:12][CH:13]([c:16]2[cH:17][nH:18][c:19]3[c:20]([C:34](=[O:35])[NH2:36])[cH:21][c:22]([B:25]4[O:26][C:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33]4)[cH:23][c:24]23)[CH2:14][CH2:15]1.[OH2:44]>>[c:2]1(-[c:22]2[cH:21][c:20]([C:34](=[O:35])[NH2:36])[c:19]3[nH:18][cH:17][c:16]([CH:13]4[CH2:12][CH2:11][S:10](=[O:9])(=[O:37])[CH2:15][CH2:14]4)[c:24]3[cH:23]2)[c:3]([CH3:8])[n:4][nH:5][c:6]1[CH3:7]