HRID2312778

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID53628347

tert-Butyl 4-sulfamoylpiperazine-1-carboxylate

C9H19N3O4S

HCID86619872

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(NS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nc(SCc2cccc(F)c2F)n1

HCID53628346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-edbc69f271f0437f8802c2533123e0f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:18](=[O:19])([O-:20])[O-:21].[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[NH2:17])[CH2:12][CH2:13]1.[Cl:24][c:25]1[n:26][c:27]([S:34][CH2:35][c:36]2[c:37]([F:43])[c:38]([F:42])[cH:39][cH:40][cH:41]2)[n:28][c:29]([O:31][CH2:32][CH3:33])[cH:30]1.[Cs+:22].[Cs+:23].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[O:52]=[C:53]([CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)[CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[O:70]=[C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)[CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[O:88]=[C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)[CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Pd:50].[Pd:51]>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[NH:17][c:25]2[n:26][c:27]([S:34][CH2:35][c:36]3[c:37]([F:43])[c:38]([F:42])[cH:39][cH:40][cH:41]3)[n:28][c:29]([O:31][CH2:32][CH3:33])[cH:30]2)[CH2:12][CH2:13]1