HRID154769

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID237395

3-chloro-2,5-diethylpyrazine

C8H11ClN2

结构：CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734217

2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl

C26H36NP

HCID17917965

未命名化合物

PRODUCTS

生成物

结构：CCc1cnc(CC)c(NC2CN(C(=O)OCc3ccccc3)CC2O)n1

HCID22147241

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fdb5d255191a4a6ab9e5b7ce11e720b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:57](=[O:58])([O-:59])[O-:60].[CH3:129][O:130][CH2:131][CH2:132][O:133][CH3:134].[CH3:68][CH2:69][O:70][CH2:71][CH3:72].[CH:29]1([P:30]([CH:31]2[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2-[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[N:49]([CH3:50])[CH3:51])[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[Cl:18][c:19]1[n:20][c:21]([CH2:27][CH3:28])[cH:22][n:23][c:24]1[CH2:25][CH3:26].[Cs+:61].[Cs+:62].[NH2:1][CH:2]1[CH2:3][N:4]([C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:5][CH:6]1[OH:7].[Na+:67].[O-:63][C:64]([OH:65])=[O:66].[O:111]=[C:112]([CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1)[CH:121]=[CH:122][c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1.[O:75]=[C:76]([CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1)[CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[O:93]=[C:94]([CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1)[CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1.[Pd:73].[Pd:74]>>[NH:1]([CH:2]1[CH2:3][N:4]([C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:5][CH:6]1[OH:7])[c:19]1[n:20][c:21]([CH2:27][CH3:28])[cH:22][n:23][c:24]1[CH2:25][CH3:26]