HRID215514

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

HCID4646916

2-BROMO-5-(CYCLOPENTYLSULFONYL)THIOPHENE

C9H11BrO2S2

结构：CC1(C)OB(c2cc(C(N)=O)c3[nH]cc(C4CCS(=O)(=O)C(C)(C)C4)c3c2)OC1(C)C

HCID59332799

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CC(c2c[nH]c3c(C(N)=O)cc(-c4ccc(S(=O)(=O)C5CCCC5)s4)cc23)CCS1(=O)=O

HCID59332576

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b7016028b05410eb3e0483471dd6fcb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:46](=[O:47])([O-:48])[O-:49].[CH2:52]1[O:53][CH2:54][CH2:55][O:56][CH2:57]1.[CH3:1][C:2]1([CH3:31])[S:3](=[O:29])(=[O:30])[CH2:4][CH2:5][CH:6]([c:8]2[cH:9][nH:10][c:11]3[c:12]([C:26](=[O:27])[NH2:28])[cH:13][c:14]([B:17]4[O:18][C:19]([CH3:20])([CH3:21])[C:22]([CH3:23])([CH3:24])[O:25]4)[cH:15][c:16]23)[CH2:7]1.[CH:32]1([S:37](=[O:38])(=[O:39])[c:40]2[s:41][c:42]([Br:45])[cH:43][cH:44]2)[CH2:33][CH2:34][CH2:35][CH2:36]1.[K+:50].[K+:51].[OH2:58]>>[CH3:1][C:2]1([CH3:31])[S:3](=[O:29])(=[O:30])[CH2:4][CH2:5][CH:6]([c:8]2[cH:9][nH:10][c:11]3[c:12]([C:26](=[O:27])[NH2:28])[cH:13][c:14](-[c:42]4[s:41][c:40]([S:37]([CH:32]5[CH2:33][CH2:34][CH2:35][CH2:36]5)(=[O:38])=[O:39])[cH:44][cH:43]4)[cH:15][c:16]23)[CH2:7]1