HRID301825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID8471

Triethylamine

C6H15N

HCID8479

4-Aminobenzenesulfonic acid

C6H7NO3S

HCID12678771

未命名化合物

PRODUCTS

生成物

结构：Nc1c(N=Nc2ccc(S(=O)(=O)O)cc2)cnn1-c1ccc([N+](=O)[O-])cc1

HCID135581557

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e78f77563404c0ebe7e97cbed381dd4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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