HRID1231101

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID6406

2-Hydroxy-2-methylpropanenitrile

C4H7NO

HCID8471

Triethylamine

C6H15N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID21183152

未命名化合物

HCID178448738

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C(=O)c2cnn(C(C)(C)C)c2O)ccc(S(C)(=O)=O)c1I

HCID178428877

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0247996f74e477481e90daba43627ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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