HRID933783

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8082

Piperidine

C5H11N

HCID79346

Pent-4-yn-1-ol

C5H8O

HCID83717

Copper iodide (CuI2)

CuI2

结构：CC(C)(C)OC(=O)N1CCCc2cc(OS(=O)(=O)C(F)(F)F)ccc21

HCID86587009

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：CC(C)(C)OC(=O)N1CCCc2cc(C#CCCCO)ccc21

HCID69514848

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-528ed917e5714f95a80ef13e03e02095
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH2:11][c:12]2[cH:13][c:14]([O:18][S:19]([C:20]([F:21])([F:22])[F:23])(=[O:24])=[O:25])[cH:15][cH:16][c:17]21.[CH2:26]([CH2:27][CH2:28][C:29]#[CH:30])[OH:31].[CH2:34]1[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1.[ClH:33].[Cu:117]([I:118])[I:119].[OH2:32].[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([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)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH2:11][c:12]2[cH:13][c:14]([C:30]#[C:29][CH2:28][CH2:27][CH2:26][OH:31])[cH:15][cH:16][c:17]21