HRID1139548

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID67602

1-Bromo-3,5-bis(trifluoromethyl)benzene

C8H3BrF6

HCID95417

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

C17H14O

3 次

HCID98210

3-Pyrrolidinol

C4H9NO

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

PRODUCTS

生成物

结构：OC1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

HCID75245196

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c7fa97cc29c44a1b5d157f98bfcc808
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:68][C:69]([CH3:70])([O-:71])[CH3:72].[CH3:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[F:1][C:2]([c:3]1[cH:4][c:5]([Br:13])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:14])[F:15].[Na+:73].[O:101]=[C:102]([CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1)[CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[O:119]=[C:120]([CH:121]=[CH:122][c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1)[CH:129]=[CH:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[OH2:137].[OH:16][CH:17]1[CH2:18][NH:19][CH2:20][CH2:21]1.[Pd:81].[Pd:82].[c:22]1([P:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][c:33]3[c:34]([cH:35][cH:36][cH:37][cH:38]3)[c:39]2-[c:40]2[c:41]3[c:42]([cH:43][cH:44][cH:45][cH:46]3)[cH:47][cH:48][c:49]2[P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([N:19]2[CH2:18][CH:17]([OH:16])[CH2:21][CH2:20]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:14])[F:15]