HRID693116

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

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

HCID634876

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

C44H32P2

HCID2734414

5-Bromo-2-chloropyridine

C5H3BrClN

HCID4574913

未命名化合物

HCID43810892

tert-Butyl 3,8-diazabicyclo[4.2.0]octane-8-carboxylate

C11H20N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CCN(c3ccc(Cl)nc3)CC21

HCID178451499

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8e798395b814e1b89686826b49a0671
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

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