HRID2153702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID28390692

未命名化合物

HCID57708073

未命名化合物

结构：CCCc1cc(CCC)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(CCC)c1

HCID67346612

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NC2CC2)cc1Oc1cc(=O)n(C)c2c1cnn2-c1cccc(F)c1

HCID45269229

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96d2031bf2cf4b538e40b3837839018c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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