HRID1134562

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID1775

5,5-Diphenylhydantoin

C15H12N2O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID83210

1-(2-Chloroethyl)-2-methyl-5-nitroimidazole

C6H8ClN3O2

HCID5360545

Sodium

PRODUCTS

生成物

结构：Cc1ncc([N+](=O)[O-])n1CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O

HCID21491662

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a02dcb059764c6ca44614f8e1258ec9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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