HRID114760

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID7732

4-Methoxybenzenamine

C7H9NO

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID2777991

2,3,4-Trifluorotoluene

C7H5F3

HCID4574913

未命名化合物

HCID59587599

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Nc2oc(-c3c(F)cccc3F)nc2C(N)=O)cc1

HCID59587427

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9fec50e92fe43c8b2074a733ab56995
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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