HRID1203048

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID271971

1-Methyl-4-piperidinemethanol

C7H15NO

HCID4574913

未命名化合物

结构：Cc1cc2ncc(-c3cccc(OC(F)(F)F)c3)n2nc1Cl

HCID59380263

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2ncc(-c3cccc(OC(F)(F)F)c3)n2nc1OCC1CCN(C)CC1

HCID25025851

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38c6e1a58d7f4ca3aaeeb8e03e8696a6
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

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