HRID1115056

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID6386

tert-Butyl alcohol

C4H10O

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

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

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID5360545

Sodium

HCID13199889

2-Chloro-3-(4-chlorophenyl)pyrazine

C10H6Cl2N2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2nccnc2-c2ccc(Cl)cc2)CC1

HCID68736815

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a006182dae6c4be7a1cfe143b185623d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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