HRID1541576

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

HCID259922

2,7-Dibromo-9-fluorenone

C13H6Br2O

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

HCID634876

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

C44H32P2

HCID4574913

未命名化合物

HCID46738181

tert-Butyl 3,6-diazabicyclo[3.2.0]heptane-6-carboxylate

C10H18N2O2

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)N1CC2CN(c3ccc4c(c3)C(=O)c3cc(Br)ccc3-4)CC21

HCID77234359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3c764dba5e36430896a72211e0b79f46
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

[Br:15][c:16]1[cH:17][c:18]2[c:26]([cH:27][cH:28]1)-[c:25]1[c:20]([cH:21][c:22]([Br:29])[cH:23][cH:24]1)[C:19]2=[O:30].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]2[CH2:10][NH:11][CH2:12][CH:13]2[CH2:14]1.[CH3:31][C:32]([CH3:33])([O-:34])[CH3:35].[CH3:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[Na+:36].[O:110]=[C:111]([CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1)[CH:120]=[CH:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[O:128]=[C:129]([CH:130]=[CH:131][c:132]1[cH:133][cH:134][cH:135][cH:136][cH:137]1)[CH:138]=[CH:139][c:140]1[cH:141][cH:142][cH:143][cH:144][cH:145]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[Pd:90].[Pd:91].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][c:48]3[c:49]([cH:50][cH:51][cH:52][cH:53]3)[c:54]2-[c:55]2[c:56]3[c:57]([cH:58][cH:59][cH:60][cH:61]3)[cH:62][cH:63][c:64]2[P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[cH:78][cH:79][cH:80][cH:81][cH:82]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]2[CH2:10][N:11]([c:22]3[cH:21][c:20]4[c:25]([cH:24][cH:23]3)-[c:26]3[c:18]([cH:17][c:16]([Br:15])[cH:28][cH:27]3)[C:19]4=[O:30])[CH2:12][CH:13]2[CH2:14]1