HRID690513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

4 次

HCID2760898

Tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

C10H18N2O2

HCID4574913

未命名化合物

HCID11406774

8-Iodo-3-(phenylsulfonyl)quinoline

C15H10INO2S

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CC1CN2c1cccc2cc(S(=O)(=O)c3ccccc3)cnc12

HCID77265141

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84c6108f7cf846189db515b986c37279
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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