HRID1557048

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

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

HCID77148373

未命名化合物

PRODUCTS

生成物

结构：CC1COCCN1CC1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

HCID178431600

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ceb9bb2ee0cb425fa3e0f3c2ae7daddc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:25][c:26]1[cH:27][cH:28][c:29]([C:32]([C:33]([F:34])([F:35])[F:36])([C:37]([F:38])([F:39])[F:40])[OH:41])[cH:30][cH:31]1.[CH3:3][CH:4]1[CH2:5][O:6][CH2:7][CH2:8][N:9]1[CH2:10][CH:11]1[NH:12][CH2:13][CH2:14][N:15]([S:17](=[O:18])(=[O:19])[c:20]2[s:21][cH:22][cH:23][cH:24]2)[CH2:16]1.[CH3:75][C:76]([CH3:77])([O-:78])[CH3:79].[CH3:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[CH3:89][CH2:90][O:91][C:92]([CH3:93])=[O:94].[CH:42]1([P:43]([CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2-[c:56]2[c:57]([O:58][CH:59]([CH3:60])[CH3:61])[cH:62][cH:63][cH:64][c:65]2[O:66][CH:67]([CH3:68])[CH3:69])[CH2:70][CH2:71][CH2:72][CH2:73][CH2:74]1.[ClH:1].[ClH:2].[Na+:80].[O:115]=[C:116]([CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1)[CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[O:133]=[C:134]([CH:135]=[CH:136][c:137]1[cH:138][cH:139][cH:140][cH:141][cH:142]1)[CH:143]=[CH:144][c:145]1[cH:146][cH:147][cH:148][cH:149][cH:150]1.[O:97]=[C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[OH2:88].[Pd:95].[Pd:96]>>[CH3:3][CH:4]1[CH2:5][O:6][CH2:7][CH2:8][N:9]1[CH2:10][CH:11]1[N:12]([c:26]2[cH:27][cH:28][c:29]([C:32]([C:33]([F:34])([F:35])[F:36])([C:37]([F:38])([F:39])[F:40])[OH:41])[cH:30][cH:31]2)[CH2:13][CH2:14][N:15]([S:17](=[O:18])(=[O:19])[c:20]2[s:21][cH:22][cH:23][cH:24]2)[CH2:16]1