HRID1121523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

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

HCID59578391

未命名化合物

PRODUCTS

生成物

结构：CC(C)S(=O)(=O)NC(c1cncc(-c2ccc(C#N)c(Cl)c2)c1)C1CC1

HCID49820128

N-((5-(3-chloro-4-cyanophenyl)pyridin-3-yl)(cyclopropyl)methyl)-propane-2-sulfonamide

C19H20ClN3O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d8b1cbfbc1a40b387ff61ea600646b5
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

[Br:19][c:20]1[cH:21][c:22]([CH:26]([NH:27][S:28](=[O:29])(=[O:30])[CH:31]([CH3:32])[CH3:33])[CH:34]2[CH2:35][CH2:36]2)[cH:23][n:24][cH:25]1.[C:37](=[O:38])([O-:39])[O-:40].[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+:41].[Na+:42].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[Pd:48]([Cl:49])[Cl:50].[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1.[c:70]1([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[cH:84][cH:85][cH:86][cH:87][cH:88]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])[CH:31]([CH3:32])[CH3:33])[CH:34]3[CH2:35][CH2:36]3)[cH:23][n:24][cH:25]2)[cH:9]1