HRID670634

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7813

4-Methylbenzenamine

C7H9N

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID4574913

未命名化合物

HCID21938660

2-Bromo-1-chloro-3-fluorobenzene

C6H3BrClF

PRODUCTS

生成物

HCID21100364

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-739c8e302a9d4519b11da4416e53372a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:61][c:62]1[c:63]([Cl:69])[cH:64][cH:65][cH:66][c:67]1[F:68].[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:7][cH:8]1.[CH3:55][C:56]([CH3:57])([O-:58])[CH3:59].[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[ClH:70].[Na+:60].[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.[OH2:134].[Pd:78].[Pd:79].[c:9]1([P:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17]2[cH:18][cH:19][c:20]3[c:21]([cH:22][cH:23][cH:24][cH:25]3)[c:26]2-[c:27]2[c:28]3[c:29]([cH:30][cH:31][cH:32][cH:33]3)[cH:34][cH:35][c:36]2[P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:62]2[c:63]([Cl:69])[cH:64][cH:65][cH:66][c:67]2[F:68])[cH:7][cH:8]1