HRID696777

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID11564911

未命名化合物

HCID46738194

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

C13H15BFNO2

PRODUCTS

生成物

结构：Cc1nc(C#Cc2ccc(-c3cc(F)cc(C#N)c3)nc2)cs1

HCID16662948

3-Fluoro-5-{5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-yl}benzonitrile

C18H10FN3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c54cbb4b15543a5b335621391635052
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

[C:34](=[O:35])([O-:36])[O-:37].[CH3:81][O:82][CH2:83][CH2:84][O:85][CH3:86].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:8]#[C:9][c:10]2[n:11][c:12]([CH3:15])[s:13][cH:14]2)[cH:6][cH:7]1.[F:16][c:17]1[cH:18][c:19]([C:20]#[N:21])[cH:22][c:23]([B:25]2[O:26][C:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33]2)[cH:24]1.[K+:38].[K+:39].[OH2:87].[Pd:40]([Cl:41])[Cl:42].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1>>[c:2]1(-[c:23]2[cH:22][c:19]([C:20]#[N:21])[cH:18][c:17]([F:16])[cH:24]2)[n:3][cH:4][c:5]([C:8]#[C:9][c:10]2[n:11][c:12]([CH3:15])[s:13][cH:14]2)[cH:6][cH:7]1