HRID2333214

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8082

Piperidine

C5H11N

HCID11776

Triphenylphosphine

C18H15P

HCID30165

Iodide ion

I-

HCID69258

Benzoic acid, 3-iodo-, methyl ester

C8H7IO2

结构：C#CC1(c2ccc(OC)c(OC3CCCC3)c2)CCC2(CC1)OCCO2

HCID11089596

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)c1cccc(C#CC2(c3ccc(OC)c(OC4CCCC4)c3)CCC3(CC2)OCCO3)c1

HCID15392031

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-600aa2d9ee344916be716f0cc5074cab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:59]1[CH2:60][CH2:61][NH:62][CH2:63][CH2:64]1.[CH:1]1([O:6][c:7]2[cH:8][c:9]([C:15]3([C:25]#[CH:26])[CH2:16][CH2:17][C:18]4([CH2:19][CH2:20]3)[O:21][CH2:22][CH2:23][O:24]4)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1.[ClH:58].[I-:38].[I:27][c:28]1[cH:29][c:30]([C:31](=[O:32])[O:33][CH3:34])[cH:35][cH:36][cH:37]1.[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1.[cH:65]1[cH:66][cH:67][c:68]([P:69]([Pd:70]([P:71]([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)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([P:90]([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)[P:109]([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)([c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[cH:140][cH:141]1>>[CH:1]1([O:6][c:7]2[cH:8][c:9]([C:15]3([C:25]#[C:26][c:28]4[cH:29][c:30]([C:31](=[O:32])[O:33][CH3:34])[cH:35][cH:36][cH:37]4)[CH2:16][CH2:17][C:18]4([CH2:19][CH2:20]3)[O:21][CH2:22][CH2:23][O:24]4)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1