HRID163158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID74684

4-(Trifluoromethyl)benzamide

C8H6F3NO

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID59593347

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(C(=O)c2c[nH]c3ncccc23)cn1)c1ccc(C(F)(F)F)cc1

HCID59593286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72c1b29b928143d993aba658219fd31d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[c:10]2[cH:11][nH:12][c:13]3[n:14][cH:15][cH:16][cH:17][c:18]23)[cH:6][n:7]1.[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cs+:36].[Cs+:37].[F:19][C:20]([c:21]1[cH:22][cH:23][c:24]([C:25](=[O:26])[NH2:27])[cH:28][cH:29]1)([F:30])[F:31].[O:47]=[C:48]([CH:49]=[CH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[O:65]=[C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Pd:45].[Pd:46]>>[c:2]1([NH:27][C:25]([c:24]2[cH:23][cH:22][c:21]([C:20]([F:19])([F:30])[F:31])[cH:29][cH:28]2)=[O:26])[cH:3][cH:4][c:5]([C:8](=[O:9])[c:10]2[cH:11][nH:12][c:13]3[n:14][cH:15][cH:16][cH:17][c:18]23)[cH:6][n:7]1