HRID147939

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID2734380

Quinoline-8-boronic acid

C9H8BNO2

结构：CCN(CC)C(=O)c1ccc(C(Br)=C2CCN(Cc3ccccc3)CC2)cc1

HCID11374090

4-[Bromo[1-(phenylmethyl)-4-piperidinylidene]methyl]-N,N-diethylbenzamide

C24H29BrN2O

PRODUCTS

生成物

结构：CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccccc3)CC2)c2cccc3cccnc23)cc1

HCID10163397

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0ec6d599c8c47529c646d5a5bf2b29d
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:42](=[O:43])([O-:44])[O-:45].[CH2:1]([CH3:2])[N:3]([C:4]([c:5]1[cH:6][cH:7][c:8]([C:11](=[C:12]2[CH2:13][CH2:14][N:15]([CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:16][CH2:17]2)[Br:25])[cH:9][cH:10]1)=[O:26])[CH2:27][CH3:28].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH3:55][CH2:56][OH:57].[Na+:46].[Na+:47].[Pd:58].[c:116]1([P:117]([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131][cH:132][cH:133][cH:134]1.[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1.[c:78]1([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[cH:92][cH:93][cH:94][cH:95][cH:96]1.[c:97]1([P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112][cH:113][cH:114][cH:115]1.[n:29]1[cH:30][cH:31][cH:32][c:33]2[cH:34][cH:35][cH:36][c:37]([B:39]([OH:40])[OH:41])[c:38]12>>[CH2:1]([CH3:2])[N:3]([C:4]([c:5]1[cH:6][cH:7][c:8]([C:11](=[C:12]2[CH2:13][CH2:14][N:15]([CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:16][CH2:17]2)[c:37]2[cH:36][cH:35][cH:34][c:33]3[cH:32][cH:31][cH:30][n:29][c:38]32)[cH:9][cH:10]1)=[O:26])[CH2:27][CH3:28]