HRID145174

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID3332

Felbinac

C14H12O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6564

1,2-Dichloropropane

C3H6Cl2

HCID6947

2-Nitrophenol

C6H5NO3

HCID78703

4-(1-Pyrrolidinyl)piperidine

C9H18N2

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(N2CCCC2)CC1

HCID22054644

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4aa4bcfb18f4a20a7ff74bafe0c2fef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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