HRID1536019

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

HCID32205

2-Methylcyclopentan-1-ol

C6H12O

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：CC1CCCC1Oc1ccc2c(n1)OCCN(C(=O)OC(C)(C)C)C2

HCID68427286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55030ecdbcbb466398c6f51dc5e0bc4d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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