HRID313058

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID7375

3-(Trifluoromethyl)aniline

C7H6F3N

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：CCCCCN1C(=O)C2(COc3cc4c(cc32)OCO4)c2c(Br)cccc21

HCID59263339

未命名化合物

PRODUCTS

生成物

结构：CCCCCN1C(=O)C2(COc3cc4c(cc32)OCO4)c2c(Nc3cccc(C(F)(F)F)c3)cccc21

HCID59263439

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae1d714f6a8b457298deaf51af17d54e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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