HRID2135765

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7404

Benzenesulfonyl chloride, 4-nitro-

C6H4ClNO4S

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

结构：Nc1nc2c([nH]1)c(=O)n(CC1CC1)c(=O)n2CC1CC1

HCID71356

Cipamfylline

C13H17N5O2

PRODUCTS

生成物

结构：Nc1nc2c(c(=O)n(CC3CC3)c(=O)n2CC2CC2)n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1

HCID10004422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af7d0a2237f94015b9be8f0cf9b9110c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[N+:21](=[O:22])([O-:23])[c:24]1[cH:25][cH:26][c:27]([S:30](=[O:31])(=[O:32])[Cl:33])[cH:28][cH:29]1.[NH2:1][c:2]1[n:3][c:4]2[n:5]([CH2:17][CH:18]3[CH2:19][CH2:20]3)[c:6](=[O:16])[n:7]([CH2:12][CH:13]3[CH2:14][CH2:15]3)[c:8](=[O:11])[c:9]2[nH:10]1.[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH2:41]>>[NH2:1][c:2]1[n:3][c:4]2[n:5]([CH2:17][CH:18]3[CH2:19][CH2:20]3)[c:6](=[O:16])[n:7]([CH2:12][CH:13]3[CH2:14][CH2:15]3)[c:8](=[O:11])[c:9]2[n:10]1[S:30]([c:27]1[cH:26][cH:25][c:24]([N+:21](=[O:22])[O-:23])[cH:29][cH:28]1)(=[O:31])=[O:32]