HRID2161793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID23938

Palladium

2 次

HCID28486

Lithium ion

Li+

HCID73753

3-(Trifluoromethoxy)aniline

C7H6F3NO

HCID95417

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

C17H14O

3 次

结构：CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734217

2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl

C26H36NP

HCID3280088

未命名化合物

结构：CNc1cc(-c2cccnc2Nc2c(C)ccc3c(Cl)nccc23)ncn1

HCID58942265

未命名化合物

PRODUCTS

生成物

结构：CNc1cc(-c2cccnc2Nc2c(C)ccc3c(Nc4cccc(OC(F)(F)F)c4)nccc23)ncn1

HCID67341470

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db946c6a4ac348719c46a90dca5e156d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:68][Si:69]([N-:70][Si:71]([CH3:72])([CH3:73])[CH3:74])([CH3:75])[CH3:76].[CH:40]1([P:41]([CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2-[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[N:60]([CH3:61])[CH3:62])[CH2:63][CH2:64][CH2:65][CH2:66][CH2:67]1.[Cl:13][c:14]1[n:15][cH:16][cH:17][c:18]2[c:19]([NH:25][c:26]3[n:27][cH:28][cH:29][cH:30][c:31]3-[c:32]3[n:33][cH:34][n:35][c:36]([NH:38][CH3:39])[cH:37]3)[c:20]([CH3:24])[cH:21][cH:22][c:23]12.[F:1][C:2]([O:3][c:4]1[cH:5][c:6]([NH2:7])[cH:8][cH:9][cH:10]1)([F:11])[F:12].[Li+:77].[O:116]=[C:117]([CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1)[CH:126]=[CH:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[O:98]=[C:99]([CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1)[CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1.[Pd:78].[Pd:79]>>[F:1][C:2]([O:3][c:4]1[cH:5][c:6]([NH:7][c:14]2[n:15][cH:16][cH:17][c:18]3[c:19]([NH:25][c:26]4[n:27][cH:28][cH:29][cH:30][c:31]4-[c:32]4[n:33][cH:34][n:35][c:36]([NH:38][CH3:39])[cH:37]4)[c:20]([CH3:24])[cH:21][cH:22][c:23]23)[cH:8][cH:9][cH:10]1)([F:11])[F:12]