HRID182547

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8857

Ethyl acetate

C4H8O2

HCID10877918

4-Azidobutyrophenone

C10H11N3O

HCID13157629

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(Cl)cc1C(=O)NN=C(CCCN=[N+]=[N-])c1ccccc1

HCID86604839

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f403c1548b84fc09769452cdbb37576
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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