HRID665005

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID137829

1-Cyclohexylethanol

C8H16O

HCID166653

Hydride

H-

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID57356939

tert-Butyl 8-chloro-2,3-dihydropyrido[3,2-f][1,4]oxazepine-4(5H)-carboxylate

C13H17ClN2O3

PRODUCTS

生成物

结构：CC(Oc1ccc2c(n1)OCCN(C(=O)OC(C)(C)C)C2)C1CCCCC1

HCID68429333

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07d6a0f123c444309761d845afb8871a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[CH:1]1([CH:7]([CH3:8])[OH:9])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl:12][c:13]1[cH:14][cH:15][c:16]2[c:22]([n:23]1)[O:21][CH2:20][CH2:19][N:18]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:17]2.[H-:10].[Na+:11].[O:104]=[C:105]([CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1)[CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1.[O:122]=[C:123]([CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1)[CH:132]=[CH:133][c:134]1[cH:135][cH:136][cH:137][cH:138][cH:139]1.[O:86]=[C:87]([CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1)[CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[OH2:140].[Pd:84].[Pd:85].[cH:31]1[cH:32][cH:33][c:34]([P:35]([c:36]2[cH:37][cH:38][c:39]3[c:40]([cH:41][cH:42][cH:43][cH:44]3)[c:45]2-[c:46]2[c:47]3[c:48]([cH:49][cH:50][cH:51][cH:52]3)[cH:53][cH:54][c:55]2[P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76]1>>[CH:1]1([CH:7]([CH3:8])[O:9][c:13]2[cH:14][cH:15][c:16]3[c:22]([n:23]2)[O:21][CH2:20][CH2:19][N:18]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:17]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1