HRID96648

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID613504

4-(3-Nitrophenyl)-1,3-thiazol-2-amine

C9H7N3O2S

HCID2734183

3,4-Dimethoxybenzenesulfonyl chloride

C8H9ClO4S

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC

HCID5282337

Ro 61-8048

C17H15N3O6S2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4657aa76e1dc4898b7e6944ffc081181
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

[C:45]([OH:46])(=[O:47])[CH3:48].[CH3:16][O:17][c:18]1[cH:19][c:20]([S:26](=[O:27])(=[O:28])[Cl:29])[cH:21][cH:22][c:23]1[O:24][CH3:25].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6](-[c:10]2[n:11][c:12]([NH2:15])[s:13][cH:14]2)[cH:7][cH:8][cH:9]1.[Na+:31].[OH-:30].[OH2:49].[cH:32]1[cH:33][cH:34][n:35][cH:36][cH:37]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6](-[c:10]2[n:11][c:12]([NH:15][S:26]([c:20]3[cH:19][c:18]([O:17][CH3:16])[c:23]([O:24][CH3:25])[cH:22][cH:21]3)(=[O:27])=[O:28])[s:13][cH:14]2)[cH:7][cH:8][cH:9]1