HRID197836

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID24350

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

CuI

HCID2771645

4-Ethynylbenzaldehyde

C9H6O

结构：COc1ccc2c(c1)C1(CC1c1ccc3c(I)n[nH]c3c1)C(=O)N2

HCID178487024

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)C1(CC1c1ccc3c(C#Cc4ccc(C=O)cc4)n[nH]c3c1)C(=O)N2

HCID178487023

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e08e7e781c03405ea7a2b14793123316
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:25](#[CH:26])[c:27]1[cH:28][cH:29][c:30]([CH:31]=[O:32])[cH:33][cH:34]1.[CH3:83][CH2:84][N:85]([CH2:86][CH3:87])[CH2:88][CH3:89].[Cu:81][I:82].[I:1][c:2]1[n:3][nH:4][c:5]2[cH:6][c:7]([CH:11]3[C:12]4([CH2:13]3)[C:14](=[O:24])[NH:15][c:16]3[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][c:21]34)[cH:8][cH:9][c:10]12.[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[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:26]#[C:25][c:27]2[cH:28][cH:29][c:30]([CH:31]=[O:32])[cH:33][cH:34]2)[n:3][nH:4][c:5]2[cH:6][c:7]([CH:11]3[C:12]4([CH2:13]3)[C:14](=[O:24])[NH:15][c:16]3[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][c:21]34)[cH:8][cH:9][c:10]12