HRID145012

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID12072036

未命名化合物

HCID22475338

(2-Methyl-5-nitrophenyl)acetic acid

C9H9NO4

PRODUCTS

生成物

结构：Cc1ccc([N+](=O)[O-])cc1CC(=O)N1CCC(c2c[nH]c3c(Cl)cccc23)CC1

HCID22714421

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0975902f920c4ac6bfda7ef5653bd04b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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