HRID202065

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID13114183

4-Chloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile

C6H4ClN3S

结构：Cc1ccc(S(=O)(=O)n2cc(B3OC(C)(C)C(C)(C)O3)c3cc(C)cnc32)cc1

HCID57774334

5-Methyl-1-[(4-methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

C21H25BN2O4S

PRODUCTS

生成物

结构：CSc1ncc(C#N)c(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncc(C)cc23)n1

HCID59414475

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69e8aff0d7e7435280ed9015c1aee2c1
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:41](=[O:42])([O-:43])[O-:44].[CH3:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[n:8]([S:20](=[O:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([CH3:27])[cH:28][cH:29]1)[cH:9][c:10]2[B:11]1[O:12][C:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[O:19]1.[Cl:30][c:31]1[n:32][c:33]([S:39][CH3:40])[n:34][cH:35][c:36]1[C:37]#[N:38].[K+:45].[K+:46].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1>>[CH3:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[n:8]([S:20](=[O:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([CH3:27])[cH:28][cH:29]1)[cH:9][c:10]2-[c:31]1[n:32][c:33]([S:39][CH3:40])[n:34][cH:35][c:36]1[C:37]#[N:38]