HRID2132077

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

结构：CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N1

HCID10021411

未命名化合物

HCID70047020

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C(=O)OCC=Cc2ccc(Cc3ncc[nH]3)cc2)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N1

HCID67842712

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b40ada750b7472898a902edbd8fca14
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

[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[OH:10])[CH:6]([c:11]2[cH:12][c:13]([N+:17](=[O:18])[O-:19])[cH:14][cH:15][cH:16]2)[C:5]([C:20](=[O:21])[O:22][CH:23]([CH3:24])[CH3:25])=[C:4]([CH3:26])[NH:3]1.[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[CH:43]1([N:44]=[C:45]=[N:46][CH:47]2[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]2)[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]1.[nH:27]1[c:28]([CH2:32][c:33]2[cH:34][cH:35][c:36]([CH:39]=[CH:40][CH2:41][OH:42])[cH:37][cH:38]2)[n:29][cH:30][cH:31]1>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:41][CH:40]=[CH:39][c:36]2[cH:35][cH:34][c:33]([CH2:32][c:28]3[n:27][cH:31][cH:30][nH:29]3)[cH:38][cH:37]2)[CH:6]([c:11]2[cH:12][c:13]([N+:17](=[O:18])[O-:19])[cH:14][cH:15][cH:16]2)[C:5]([C:20](=[O:21])[O:22][CH:23]([CH3:24])[CH3:25])=[C:4]([CH3:26])[NH:3]1