HRID2324879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID947

Nitrogen

HCID6344

Dichloromethane

CH2Cl2

HCID7423

3-Nitroaniline

C6H6N2O2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID64860

3,4,5-Trimethoxyhydrocinnamic acid

C12H16O5

结构：COC(=O)Cc1cccc(NC(=O)CCc2ccc(OC)c(OC)c2OC)c1

HCID59785718

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OC

HCID9411047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23634368e9a74b468790e41d58fa9d8c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:3]([Cl:4])[CH2:5][Cl:6].[CH3:15][O:16][c:17]1[cH:18][c:19]([CH2:27][CH2:28][C:29](=[O:30])[OH:31])[cH:20][c:21]([O:25][CH3:26])[c:22]1[O:23][CH3:24].[CH3:42][O:43][C:44](=[O:45])[CH2:46][c:47]1[cH:48][cH:49][cH:50][c:51]([NH:52][C:53](=[O:54])[CH2:55][CH2:56][c:57]2[cH:58][cH:59][c:60]([O:61][CH3:62])[c:63]([O:64][CH3:65])[c:66]2[O:67][CH3:68])[cH:69]1.[CH3:73][N:74]([c:75]1[cH:76][cH:77][n:78][cH:79][cH:80]1)[CH3:81].[CH3:8][CH2:9][N:10]([CH2:11][CH3:12])[CH2:13][CH3:14].[Cl:70][CH2:71][Cl:72].[ClH:7].[N+:32](=[O:33])([O-:34])[c:35]1[cH:36][c:37]([NH2:41])[cH:38][cH:39][cH:40]1.[N:1]#[N:2]>>[CH3:15][O:16][c:17]1[cH:18][c:19]([CH2:27][CH2:28][C:29](=[O:31])[NH:41][c:37]2[cH:36][c:35]([N+:32](=[O:33])[O-:34])[cH:40][cH:39][cH:38]2)[cH:20][c:21]([O:25][CH3:26])[c:22]1[O:23][CH3:24]