HRID2152781

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6115

Aniline

C6H7N

HCID15909

Methyl styryl ketone

C10H10O

3 次

HCID23938

Palladium

2 次

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

结构：Brc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1

HCID11315550

4-Bromo-4'-(diphenylamino)biphenyl

C24H18BrN

HCID178418730

未命名化合物

PRODUCTS

生成物

结构：c1ccc(Nc2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1

HCID22013295

N~4~,N~4~,N~4'~-Triphenyl[1,1'-biphenyl]-4,4'-diamine

C30H24N2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8eb7f900b9664d4bb6816c08c78aa3cd
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

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