HRID1569845

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

3 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID87601

6-Chloro-2-picoline

C6H6ClN

HCID95417

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

C17H14O

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID4574913

未命名化合物

HCID11652305

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(N2CCC(CCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)n1

HCID57507817

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7d168bf9c464d28919e1fe2e215857c
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

[CH3:56][C:57]([CH3:58])([O-:59])[CH3:60].[CH3:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]1.[Cl:48][c:49]1[n:50][c:51]([CH3:55])[cH:52][cH:53][cH:54]1.[ClH:26].[NH:27]1[CH2:28][CH2:29][CH:30]([CH2:33][CH2:34][CH:35]2[CH2:36][CH2:37][N:38]([C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[CH2:39][CH2:40]2)[CH2:31][CH2:32]1.[Na+:61].[Na+:62].[Na+:63].[O-:64][C:65](=[O:66])[O-:67].[Pd:68].[c:69]1([CH:70]=[CH:71][C:72](=[O:73])[CH:74]=[CH:75][c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1>>[N:27]1([c:49]2[n:50][c:51]([CH3:55])[cH:52][cH:53][cH:54]2)[CH2:28][CH2:29][CH:30]([CH2:33][CH2:34][CH:35]2[CH2:36][CH2:37][N:38]([C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[CH2:39][CH2:40]2)[CH2:31][CH2:32]1