HRID172971

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID76319

3-Butyn-2-amine, 2-methyl-

C5H9N

HCID81531

Diisopropylethylamine

C8H19N

HCID104967

Cesium(1+)

Cs+

2 次

结构：COc1ccc(Br)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)nc1

HCID22349594

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C#CC(C)(C)N)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)nc1

HCID10180494

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-970dd14b81f142fcb7d30ea8de7c4f05
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([O:25][CH3:26])[c:6]([C:8](=[O:9])[c:10]2[cH:11][n:12][c:13]([NH:16][c:17]3[c:18]([F:24])[cH:19][c:20]([F:23])[cH:21][cH:22]3)[cH:14][cH:15]2)[cH:7]1.[C:27](=[O:28])([O-:29])[O-:30].[CH3:33][C:34]([C:35]#[CH:36])([CH3:37])[NH2:38].[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[Cs+:31].[Cs+:32].[Cu:89][I:90].[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>>[c:2]1([C:36]#[C:35][C:34]([CH3:33])([CH3:37])[NH2:38])[cH:3][cH:4][c:5]([O:25][CH3:26])[c:6]([C:8](=[O:9])[c:10]2[cH:11][n:12][c:13]([NH:16][c:17]3[c:18]([F:24])[cH:19][c:20]([F:23])[cH:21][cH:22]3)[cH:14][cH:15]2)[cH:7]1