HRID1145653

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID11482439

4-[2-(2-Hydroxyethyl)-1-benzofuran-5-yl]benzonitrile

C17H13NO2

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)OCCc2cc3cc(-c4ccc(C#N)cc4)ccc3o2)cc1

HCID11711405

2-[5-(4-cyanophenyl)-1-benzofuran-2-yl]ethyl 4-methylbenzenesulfonate

C24H19NO4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c692926db78468680e04299edbcaef8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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