HRID90575

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID1140

Toluene

C7H8

结构：Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2

HCID4192

Midazolam

C18H13ClFN3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID4574913

未命名化合物

PRODUCTS

生成物

HCID11045613

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-683329a8a2274c8d869ed53b4a5005f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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