HRID2349475

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID12184

Acetic acid, hydroxy-, ethyl ester

C4H8O3

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID166653

Hydride

H-

结构：COc1cc(Cl)c(Nc2nc(Cl)nc(OC)c2[N+](=O)[O-])cc1OCc1c(OC)ccc(F)c1F

HCID86641287

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1nc(Nc2cc(OCc3c(OC)ccc(F)c3F)c(OC)cc2Cl)c([N+](=O)[O-])c(OC)n1

HCID68514427

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-205defdfda5f4ae48f7d0eb2dd43da2c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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