HRID804713

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

结构：O=C(Nc1ccc(Br)cc1)c1ccc(Cl)c([N+](=O)[O-])c1

HCID1068537

N-(4-Bromophenyl)-4-chloro-3-nitrobenzamide

C13H8BrClN2O3

HCID67040248

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)n1ccc2cc(Sc3ccc(C(=O)Nc4ccc(Br)cc4)cc3[N+](=O)[O-])ccc21

HCID67040996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8d4bd4069364dbbb5a349343f4586a5
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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