HRID1550372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

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

结构：CCOC(=O)C=Cc1ccc(C#Cc2cc(C3CC3)c3c(c2)C(C)(C)CCC3N(C)C2CC2)cc1

HCID69075690

未命名化合物

结构：COC(=O)C(C)(C)c1ccc(C#Cc2cc(C3CC3)c3c(c2)C(C)(C)CC2(CC2)O3)cc1

HCID69077341

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(C)c1ccc(C#Cc2cc(C3CC3)c3c(c2)C(C)(C)CCC3N(C)C2CC2)cc1

HCID57424266

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a48c3f8a9ff4a5590ac4c50a1b6f08c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([O:2][C:3](=[O:4])[CH:5]=[CH:6][c:7]1[cH:8][cH:9][c:10]([C:13]#[C:14][c:15]2[cH:16][c:17]3[c:22]([c:23]([CH:25]4[CH2:26][CH2:27]4)[cH:24]2)[CH:21]([N:28]([CH3:29])[CH:30]2[CH2:31][CH2:32]2)[CH2:20][CH2:19][C:18]3([CH3:33])[CH3:34])[cH:11][cH:12]1)[CH3:35].[CH2:68]([N:69]([CH2:70][CH3:71])[CH2:72][CH3:73])[CH3:74].[CH3:36][O:37][C:38]([C:39]([CH3:40])([CH3:41])[c:42]1[cH:43][cH:44][c:45]([C:46]#[C:47][c:48]2[cH:49][c:50]([CH:51]3[CH2:52][CH2:53]3)[c:54]3[c:63]([cH:64]2)[C:60]([CH3:61])([CH3:62])[CH2:59][C:56]2([O:55]3)[CH2:57][CH2:58]2)[cH:65][cH:66]1)=[O:67].[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[CH3:81][CH2:82][CH2:83][CH2:84][CH2:85][CH3:86].[Cu:87][I:88].[Pd:89]([Cl:90])[Cl:91].[c:111]1([P:112]([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126][cH:127][cH:128][cH:129]1.[c:92]1([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[cH:106][cH:107][cH:108][cH:109][cH:110]1>>[c:7]1([C:39]([C:38]([O:37][CH3:36])=[O:67])([CH3:40])[CH3:41])[cH:8][cH:9][c:10]([C:13]#[C:14][c:15]2[cH:16][c:17]3[c:22]([c:23]([CH:25]4[CH2:26][CH2:27]4)[cH:24]2)[CH:21]([N:28]([CH3:29])[CH:30]2[CH2:31][CH2:32]2)[CH2:20][CH2:19][C:18]3([CH3:33])[CH3:34])[cH:11][cH:12]1