HRID291153

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1031

1-Propanol

C3H8O

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

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：CCCOc1ccc2c(n1)OCCN(C(=O)OC(C)(C)C)C2

HCID68430219

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e9d8cce64984e16ac24ff378156c869
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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