HRID197740

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID2761178

ethyl 4-(piperazin-1-yl)benzoate

C13H18N2O2

HCID22494771

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(N2CCN(c3cc(C)c(OCCCCCCCOC)c(C)c3)CC2)cc1

HCID22494740

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2476acbb8204022baa1c2d9c8241d30
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:70][c:71]1[cH:72][c:73]([CH3:88])[c:74]([O:78][CH2:79][CH2:80][CH2:81][CH2:82][CH2:83][CH2:84][CH2:85][O:86][CH3:87])[c:75]([CH3:77])[cH:76]1.[C:1](=[O:2])([O-:3])[O-:4].[CH3:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[Cs+:5].[Cs+:6].[N:53]1([c:59]2[cH:60][cH:61][c:62]([C:63](=[O:64])[O:65][CH2:66][CH3:67])[cH:68][cH:69]2)[CH2:54][CH2:55][NH:56][CH2:57][CH2:58]1.[O-:101][C:102]([CH3:103])=[O:104].[O-:97][C:98]([CH3:99])=[O:100].[Pd+2:96].[c:7]1([P:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:20][cH:21][cH:22][cH:23]3)[c:24]2-[c:25]2[c:26]3[c:27]([cH:28][cH:29][cH:30][cH:31]3)[cH:32][cH:33][c:34]2[P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[N:53]1([c:59]2[cH:60][cH:61][c:62]([C:63](=[O:64])[O:65][CH2:66][CH3:67])[cH:68][cH:69]2)[CH2:54][CH2:55][N:56]([c:71]2[cH:72][c:73]([CH3:88])[c:74]([O:78][CH2:79][CH2:80][CH2:81][CH2:82][CH2:83][CH2:84][CH2:85][O:86][CH3:87])[c:75]([CH3:77])[cH:76]2)[CH2:57][CH2:58]1