HRID1217459

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

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

HCID634876

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

C44H32P2

HCID67200885

Ethyl 5-bromo-4-methyl-1-benzofuran-2-carboxylate

C12H11BrO3

PRODUCTS

生成物

结构：CCOC(=O)c1cc2c(C)c(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2o1

HCID67201242

1,1-Dimethylethyl 4-[2-(ethoxycarbonyl)-4-methyl-5-benzofuranyl]-1-piperazinecarboxylate

C21H28N2O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-557ecf4ff5784ec89315ef1bb7401998
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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