HRID182163

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6342

Acetonitrile

C2H3N

HCID30165

Iodide ion

I-

HCID61778

Bisulfate anion

HO4S-

HCID81531

Diisopropylethylamine

C8H19N

HCID3833866

未命名化合物

HCID19081474

未命名化合物

结构：CCS(=O)(=O)Nc1ccc2[nH]cc(CCCOS(C)(=O)=O)c2c1

HCID19921625

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)Nc1ccc2[nH]cc(CCCN3CCN(c4ncncc4OC)C(C)C3)c2c1

HCID15288335

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51d14060f33641d18e5e7156580ee004
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:40]([NH3+:41])([CH3:42])([CH3:43])[CH3:44].[CH3:1][S:2]([O:3][CH2:6][CH2:7][CH2:8][c:9]1[cH:10][nH:11][c:12]2[cH:13][cH:14][c:15]([NH:18][S:19](=[O:20])(=[O:21])[CH2:22][CH3:23])[cH:16][c:17]12)(=[O:4])=[O:5].[CH3:45][O:46][c:47]1[c:48]([N:53]2[CH:54]([CH3:59])[CH2:55][NH:56][CH2:57][CH2:58]2)[n:49][cH:50][n:51][cH:52]1.[CH3:60][C:61]#[N:62].[CH:24]([N:25]([CH:26]([CH3:27])[CH3:28])[CH2:29][CH3:30])([CH3:31])[CH3:32].[I-:34].[K+:33].[S:35]([O-:36])([OH:37])(=[O:38])=[O:39]>>[CH2:6]([CH2:7][CH2:8][c:9]1[cH:10][nH:11][c:12]2[cH:13][cH:14][c:15]([NH:18][S:19](=[O:20])(=[O:21])[CH2:22][CH3:23])[cH:16][c:17]12)[N:56]1[CH2:55][CH:54]([CH3:59])[N:53]([c:48]2[c:47]([O:46][CH3:45])[cH:52][n:51][cH:50][n:49]2)[CH2:58][CH2:57]1