HRID201698

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

HCID24350

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

CuI

HCID21107195

未命名化合物

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

HCID69075231

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3N(C)C2CC2)cc1

HCID69075889

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-648ec6c415b44125afc98f23e4ea22d1
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

[CH2:51]([N:52]([CH2:53][CH3:54])[CH2:55][CH3:56])[CH3:57].[CH3:20][O:21][C:22]([CH:23]([CH3:24])[c:25]1[cH:26][cH:27][c:28]([C:31]#[C:32][c:33]2[cH:34][c:35]([CH:36]3[CH2:37][CH2:38]3)[c:39]3[c:48]([cH:49]2)[C:45]([CH3:46])([CH3:47])[CH2:44][C:41]2([O:40]3)[CH2:42][CH2:43]2)[cH:29][cH:30]1)=[O:50].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH3:64][CH2:65][CH2:66][CH2:67][CH2:68][CH3:69].[CH:1]1([N:4]([CH:5]2[c:6]3[cH:7][cH:8][c:9]([C:17]#[CH:18])[cH:10][c:11]3[C:12]([CH3:15])([CH3:16])[CH2:13][CH2:14]2)[CH3:19])[CH2:2][CH2:3]1.[Cu:70][I:71].[cH:72]1[cH:73][cH:74][c:75]([P:76]([Pd:77]([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[P:116]([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)([c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)([c:135]2[cH:136][cH:137][cH:138][cH:139][cH:140]2)[c:141]2[cH:142][cH:143][cH:144][cH:145][cH:146]2)[cH:147][cH:148]1>>[CH:1]1([N:4]([CH:5]2[c:6]3[cH:7][cH:8][c:9]([C:17]#[C:18][c:28]4[cH:27][cH:26][c:25]([CH:23]([C:22]([O:21][CH3:20])=[O:50])[CH3:24])[cH:30][cH:29]4)[cH:10][c:11]3[C:12]([CH3:15])([CH3:16])[CH2:13][CH2:14]2)[CH3:19])[CH2:2][CH2:3]1