HRID299141

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

反应SMILES：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

HCID13546649

5-Bromo-2-phenyl-1,3-thiazole

C9H6BrNS

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)N1CC2CN(c3cnc(-c4ccccc4)s3)CC2C1

HCID66847095

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-78c9297981104e4991763bf197b87982
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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