HRID2318997

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

HCID4574913

未命名化合物

结构：COc1ccc(F)cc1C(C)(C)CC(O)(CN)C(F)(F)F

HCID17936586

未命名化合物

HCID57615946

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cc(C)cc2c1cnn2-c1ccc(F)cc1F)C(F)(F)F

HCID11992520

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4de09c87641c426390c3add417e5693b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:22][c:23]1[c:24]2[cH:25][n:26][n:27](-[c:33]3[c:34]([F:40])[cH:35][c:36]([F:39])[cH:37][cH:38]3)[c:28]2[cH:29][c:30]([CH3:32])[cH:31]1.[CH3:41][C:42]([CH3:43])([O-:44])[CH3:45].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[NH2:1][CH2:2][C:3]([C:4]([F:5])([F:6])[F:7])([CH2:8][C:9]([CH3:10])([CH3:11])[c:12]1[c:13]([O:19][CH3:20])[cH:14][cH:15][c:16]([F:18])[cH:17]1)[OH:21].[Na+:46].[O:56]=[C:57]([CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)[CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[Pd:54].[Pd:55]>>[NH:1]([CH2:2][C:3]([C:4]([F:5])([F:6])[F:7])([CH2:8][C:9]([CH3:10])([CH3:11])[c:12]1[c:13]([O:19][CH3:20])[cH:14][cH:15][c:16]([F:18])[cH:17]1)[OH:21])[c:23]1[c:24]2[cH:25][n:26][n:27](-[c:33]3[c:34]([F:40])[cH:35][c:36]([F:39])[cH:37][cH:38]3)[c:28]2[cH:29][c:30]([CH3:32])[cH:31]1