HRID2127770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID292609

2-Methyl-5-nitrophenyl isocyanate

C8H6N2O3

HCID86086992

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)c1cc(NC(=O)OC(C)(C)C)ncn1

HCID86630719

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7115afe0aca4455c8cdcee586a802e21
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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