HRID126606

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7912

Diisopropylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID24350

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

CuI

HCID521585

Tri(2-furyl)phosphine

C12H9O3P

HCID44816768

未命名化合物

HCID77231360

未命名化合物

HCID178455862

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2cnn(C)c2)cn2ncc(C#CC3CN(C(=O)OCc4cccnc4)C3)c12

HCID58404697

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-036239773b4040a2a3ba9a141acd0f75
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

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