HRID95462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID28557

18-Crown-6

C12H24O6

HCID30165

Iodide ion

I-

HCID76231

Silane, trihexyl-

C18H40Si

HCID105144

Palladium(2+)

Pd+2

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2cnc(Br)cn2)cc1Cl

HCID21897386

未命名化合物

HCID53436545

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2cnc(C=O)cn2)cc1Cl

HCID21897330

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c10b4632e1234c448dc32aaea8e52f07
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[n:3][cH:4][c:5]([NH:8][C:9]([CH:10]([CH2:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16]2)[c:17]2[cH:18][c:19]([Cl:27])[c:20]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:21][cH:22]2)=[O:28])[n:6][cH:7]1.[CH2:72]([SiH:73]([CH2:74][CH2:75][CH2:76][CH2:77][CH2:78][CH3:79])[CH2:80][CH2:81][CH2:82][CH2:83][CH2:84][CH3:85])[CH2:86][CH2:87][CH2:88][CH2:89][CH3:90].[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH3:91][N:92]([CH3:93])[CH:94]=[O:95].[I-:30].[K+:29].[O-:101][C:102]([CH3:103])=[O:104].[O-:97][C:98]([CH3:99])=[O:100].[O:31]1[CH2:32][CH2:48][O:47][CH2:46][CH2:45][O:44][CH2:43][CH2:42][O:41][CH2:40][CH2:39][O:38][CH2:37][CH2:36][O:35][CH2:34][CH2:33]1.[Pd+2:96].[c:56]1([CH:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[CH2:64][CH2:65][PH2:66])[cH:67][cH:68][cH:69][cH:70][cH:71]1>>[c:2]1([CH:32]=[O:31])[n:3][cH:4][c:5]([NH:8][C:9]([CH:10]([CH2:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16]2)[c:17]2[cH:18][c:19]([Cl:27])[c:20]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:21][cH:22]2)=[O:28])[n:6][cH:7]1