HRID664434

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

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：CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID16217985

2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl

C30H43O2P

HCID23233570

未命名化合物

HCID53411731

1-(Benzenesulfonyl)-3-methylpiperazine

C11H16N2O2S

PRODUCTS

生成物

结构：CC1CN(S(=O)(=O)c2ccccc2)CCN1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

HCID87058773

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fffa49c4c3eb4e75a9e529ab83a1893a
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:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9]([F:10])([F:11])[F:12])([C:13]([F:14])([F:15])[F:16])[OH:17])[cH:6][cH:7]1.[CH3:131][c:132]1[cH:133][cH:134][cH:135][cH:136][cH:137]1.[CH3:19][CH:20]1[NH:21][CH2:22][CH2:23][N:24]([S:26](=[O:27])(=[O:28])[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[CH2:25]1.[CH3:35][C:36]([CH3:37])([O-:38])[CH3:39].[CH:41]1([P:42]([CH:43]2[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2-[c:55]2[c:56]([O:57][CH:58]([CH3:59])[CH3:60])[cH:61][cH:62][cH:63][c:64]2[O:65][CH:66]([CH3:67])[CH3:68])[CH2:69][CH2:70][CH2:71][CH2:72][CH2:73]1.[ClH:18].[Na+:40].[O:113]=[C:114]([CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1)[CH:123]=[CH:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[O:95]=[C:96]([CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1)[CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1.[OH2:74].[Pd:75].[Pd:76]>>[c:2]1([N:21]2[CH:20]([CH3:19])[CH2:25][N:24]([S:26](=[O:27])(=[O:28])[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH2:23][CH2:22]2)[cH:3][cH:4][c:5]([C:8]([C:9]([F:10])([F:11])[F:12])([C:13]([F:14])([F:15])[F:16])[OH:17])[cH:6][cH:7]1