HRID114712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID24386

Thionyl chloride

Cl2OS

结构：CC(C)(C)NS(=O)(=O)CCc1ccc(N)c(C2=CCCCC2)c1

HCID58754816

未命名化合物

HCID59128584

未命名化合物

HCID59128585

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NS(=O)(=O)CCc1ccc(NC(=O)c2nc(C#N)cn2COCC[Si](C)(C)C)c(C2=CCCCC2)c1

HCID58754888

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f34a4c944864ad9a67994eebf59902b
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

[C:1](#[N:2])[c:3]1[n:4][c:5]([C:16](=[O:17])[OH:18])[n:6]([CH2:8][O:9][CH2:10][CH2:11][Si:12]([CH3:13])([CH3:14])[CH3:15])[cH:7]1.[C:20]([c:21]1[n:22][c:23]([C:24]([O-:25])=[O:26])[n:27]([CH2:28][O:29][CH2:30][CH2:31][Si:32]([CH3:33])([CH3:34])[CH3:35])[cH:36]1)#[N:37].[C:48]([CH3:49])([CH3:50])([CH3:51])[NH:52][S:53](=[O:54])(=[O:55])[CH2:56][CH2:57][c:58]1[cH:59][c:60]([C:65]2=[CH:66][CH2:67][CH2:68][CH2:69][CH2:70]2)[c:61]([NH2:64])[cH:62][cH:63]1.[Cl:71][CH2:72][Cl:73].[K+:19].[OH2:74].[S:44]([Cl:45])([Cl:46])=[O:47].[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1>>[C:1](#[N:2])[c:3]1[n:4][c:5]([C:16](=[O:18])[NH:64][c:61]2[c:60]([C:65]3=[CH:66][CH2:67][CH2:68][CH2:69][CH2:70]3)[cH:59][c:58]([CH2:57][CH2:56][S:53]([NH:52][C:48]([CH3:49])([CH3:50])[CH3:51])(=[O:54])=[O:55])[cH:63][cH:62]2)[n:6]([CH2:8][O:9][CH2:10][CH2:11][Si:12]([CH3:13])([CH3:14])[CH3:15])[cH:7]1