HRID178340

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID3764486

3,5-dimethoxy-4-methylbenzoic acid

C10H12O4

结构：Cc1nc(-c2ccc(CN)c([N+](=O)[O-])c2)no1

HCID69491574

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NCc2ccc(-c3noc(C)n3)cc2[N+](=O)[O-])cc(OC)c1C

HCID69489542

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-203e89b7a0794918bd0fffb59b3d8ab6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:18][O:19][c:20]1[cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][c:27]([O:30][CH3:31])[c:28]1[CH3:29].[CH3:1][c:2]1[n:3][c:4](-[c:7]2[cH:8][c:9]([N+:15](=[O:16])[O-:17])[c:10]([CH2:11][NH2:12])[cH:13][cH:14]2)[n:5][o:6]1.[CH3:32][CH2:33][N:34]=[C:35]=[N:36][CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[Cl:53][CH2:54][Cl:55].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH:43][n:44]1[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[CH3:1][c:2]1[n:3][c:4](-[c:7]2[cH:8][c:9]([N+:15](=[O:16])[O-:17])[c:10]([CH2:11][NH:12][C:23]([c:22]3[cH:21][c:20]([O:19][CH3:18])[c:28]([CH3:29])[c:27]([O:30][CH3:31])[cH:26]3)=[O:24])[cH:13][cH:14]2)[n:5][o:6]1