HRID1214250

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8431

1-Piperazinecarboxylic acid, ethyl ester

C7H14N2O2

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

HCID901466

未命名化合物

HCID4574913

未命名化合物

HCID21766884

2-Bromo-3-phenylthiophene

C10H7BrS

PRODUCTS

生成物

HCID68776928

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4742d217fe2b4f76851c3ebf3a79992b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:13][c:14]1[s:15][cH:16][cH:17][c:18]1-[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[Br:1][c:2]1[s:3][cH:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[cH:6]1.[CH2:25]([CH3:26])[O:27][C:28](=[O:29])[N:30]1[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1.[CH3:36][C:37]([CH3:38])([O-:39])[CH3:40].[CH3:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[Na+:41].[O:115]=[C:116]([CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1)[CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[O:133]=[C:134]([CH:135]=[CH:136][c:137]1[cH:138][cH:139][cH:140][cH:141][cH:142]1)[CH:143]=[CH:144][c:145]1[cH:146][cH:147][cH:148][cH:149][cH:150]1.[O:97]=[C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[Pd:95].[Pd:96].[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][c:53]3[c:54]([cH:55][cH:56][cH:57][cH:58]3)[c:59]2-[c:60]2[c:61]3[c:62]([cH:63][cH:64][cH:65][cH:66]3)[cH:67][cH:68][c:69]2[P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][cH:85][cH:86][cH:87]1>>[c:2]1([N:33]2[CH2:32][CH2:31][N:30]([C:28]([O:27][CH2:25][CH3:26])=[O:29])[CH2:35][CH2:34]2)[s:3][cH:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[cH:6]1