HRID120801

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

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-f2e9809af5fe40a69d7cc060db2dd5a6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[Pd:49]([Cl:50])[Cl:51].[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1.[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]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