HRID316923

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

2 次

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID2331

Benzamide

C7H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID117867

Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester

C10H11NO6

HCID19789880

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NC2c3cc(OC(F)(F)F)ccc3OC(C)(C)C2O)c([N+](=O)[O-])cc1OC

HCID19753260

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4b9e065d76047e59fbb7ac18698f1aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]([N+:15](=[O:16])[O-:17])[c:6]([C:7]([O:9][CH3:8])=[O:10])[cH:11][c:12]1[O:13][CH3:14].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:76][OH:77].[Cl-:20].[Cl:67][CH2:68][Cl:69].[K+:19].[NH2:25][CH:26]1[CH:27]([OH:43])[C:28]([CH3:41])([CH3:42])[O:29][c:30]2[cH:31][cH:32][c:33]([O:36][C:37]([F:38])([F:39])[F:40])[cH:34][c:35]21.[NH2:51][C:52]([c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)=[O:59].[OH-:18].[OH2:60].[S:21]([Cl:22])([Cl:23])=[O:24].[cH:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[cH:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([N+:15](=[O:16])[O-:17])[c:6]([C:7](=[O:9])[NH:25][CH:26]2[CH:27]([OH:43])[C:28]([CH3:41])([CH3:42])[O:29][c:30]3[cH:31][cH:32][c:33]([O:36][C:37]([F:38])([F:39])[F:40])[cH:34][c:35]32)[cH:11][c:12]1[O:13][CH3:14]