HRID115348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID418807

Tetrahydrothiopyran-4-ylamine

C5H11NS

结构：O=[N+]([O-])c1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1Cl

HCID58394774

未命名化合物

PRODUCTS

生成物

结构：O=[N+]([O-])c1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1NC1CCSCC1

HCID67346464

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8be584ebc61f438a9e1f6c285d6ac2bb
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

[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[CH:39]([OH:40])([CH3:41])[CH3:42].[S:23]1[CH2:24][CH2:25][CH:26]([NH2:29])[CH2:27][CH2:28]1.[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[c:18]3[Cl:19])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[c:18]3[NH:29][CH:26]2[CH2:25][CH2:24][S:23][CH2:28][CH2:27]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1