HRID1204065

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

3 次

HCID13512

3,3-Dimethylbutyne

C6H10

HCID24290

未命名化合物

HCID24350

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

CuI

HCID12056518

未命名化合物

PRODUCTS

生成物

结构：COc1nn(C)c(=O)n1Cc1cc(C#CC(C)(C)C)ccc1C

HCID18388857

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e33a0390c004fd380eeedf829553795
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH3:18])[c:6]([CH2:7][n:8]2[c:9](=[O:16])[n:10]([CH3:15])[n:11][c:12]2[O:13][CH3:14])[cH:17]1.[C:19]([CH3:20])([CH3:21])([CH3:22])[C:23]#[CH:24].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][C:52]#[N:53].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cu:101][I:102].[Pd:60]([Cl:61])[Cl:62].[c:25]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40][cH:41][cH:42][cH:43]1.[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1.[c:82]1([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[cH:96][cH:97][cH:98][cH:99][cH:100]1>>[c:2]1([C:24]#[C:23][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:3][cH:4][c:5]([CH3:18])[c:6]([CH2:7][n:8]2[c:9](=[O:16])[n:10]([CH3:15])[n:11][c:12]2[O:13][CH3:14])[cH:17]1