HRID296196

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID24319

Benzenesulfenyl chloride, 2-nitro-

C6H4ClNO2S

HCID14207808

4-[(5-Chloropyrimidin-2-yl)oxy]-3-methylaniline

C11H10ClN3O

PRODUCTS

生成物

结构：Cc1cc(NSc2ccccc2[N+](=O)[O-])ccc1Oc1ncc(Cl)cn1

HCID10000368

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ba2881e35544884a0f9a975380b8b0b
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

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