HRID85961

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

HCID69369

3,5-Dibromopyridine

C5H3Br2N

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

HCID4142526

tert-Butyl hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate

C11H20N2O2

HCID4574913

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CN(c3cncc(Br)c3)CC2C1

HCID67265945

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fcb62f9c2c79436cb1cfe90ecc3917ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:16][c:17]1[cH:18][n:19][cH:20][c:21]([Br:22])[cH:23]1.[CH2:1]1[N:2]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:3][CH:4]2[CH:5]1[CH2:6][NH:7][CH2:8]2.[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.[Na+:75].[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.[OH2:83].[Pd:84].[Pd:85].[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>>[CH2:1]1[N:2]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:3][CH:4]2[CH:5]1[CH2:6][N:7]([c:21]1[cH:20][n:19][cH:18][c:17]([Br:16])[cH:23]1)[CH2:8]2