HRID320491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID11562

m-Bromoaniline

C6H6BrN

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：O=C(O)c1cc([N+](=O)[O-])c(Sc2ccc(O)cc2)s1

HCID67040639

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccc(Br)c1)c1cc([N+](=O)[O-])c(Sc2ccc(O)cc2)s1

HCID67040999

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-afb10d704c0a4e25b2d0739bde2bc349
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

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