HRID174334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

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

HCID23233570

未命名化合物

结构：COc1cc(CC2CN(S(=O)(=O)c3cccs3)CCN2)ccn1

HCID66583300

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CC2CN(S(=O)(=O)c3cccs3)CCN2c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)ccn1

HCID86670429

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff04afddccd4427e9e1d5ac618552ea3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:24][c:25]1[cH:26][cH:27][c:28]([C:31]([C:32]([F:33])([F:34])[F:35])([C:36]([F:37])([F:38])[F:39])[OH:40])[cH:29][cH:30]1.[CH3:1][O:2][c:3]1[n:4][cH:5][cH:6][c:7]([CH2:9][CH:10]2[CH2:11][N:12]([S:16](=[O:17])(=[O:18])[c:19]3[s:20][cH:21][cH:22][cH:23]3)[CH2:13][CH2:14][NH:15]2)[cH:8]1.[CH3:41][C:42]([CH3:43])([O-:44])[CH3:45].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[Cl-:54].[NH4+:55].[Na+:46].[O:58]=[C:59]([CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)[CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[Pd:56].[Pd:57]>>[CH3:1][O:2][c:3]1[n:4][cH:5][cH:6][c:7]([CH2:9][CH:10]2[CH2:11][N:12]([S:16](=[O:17])(=[O:18])[c:19]3[s:20][cH:21][cH:22][cH:23]3)[CH2:13][CH2:14][N:15]2[c:25]2[cH:26][cH:27][c:28]([C:31]([C:32]([F:33])([F:34])[F:35])([C:36]([F:37])([F:38])[F:39])[OH:40])[cH:29][cH:30]2)[cH:8]1