HRID685990

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID57926113

2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

C13H15BClNO2

HCID59578440

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)NC(c1cncc(-c2ccc(C#N)c(Cl)c2)c1)C1CCCC1

HCID49820127

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b675a796efa4b89ad51d7c847ccd31c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:19][c:20]1[cH:21][c:22]([CH:26]([NH:27][S:28](=[O:29])(=[O:30])[CH2:31][CH3:32])[CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37]2)[cH:23][n:24][cH:25]1.[C:38](=[O:39])([O-:40])[O-:41].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8]([B:10]2[O:11][C:12]([CH3:13])([CH3:14])[C:15]([CH3:16])([CH3:17])[O:18]2)[cH:9]1.[Na+:42].[Na+:43].[Pd:44]([Cl:45])[Cl:46].[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1>>[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8](-[c:20]2[cH:21][c:22]([CH:26]([NH:27][S:28](=[O:29])(=[O:30])[CH2:31][CH3:32])[CH:33]3[CH2:34][CH2:35][CH2:36][CH2:37]3)[cH:23][n:24][cH:25]2)[cH:9]1