HRID293583

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6569

Methyl ethyl ketone

C4H8O

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID81531

Diisopropylethylamine

C8H19N

HCID11573192

N,N-Dimethyl-3-[(naphthalen-1-yl)oxy]-3-(thiophen-2-yl)propan-1-amine

C19H21NOS

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID122252

(±)-Duloxetine

C18H19NOS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb99a187f93e4c6ba954d0ee1c1753c0
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

[CH2:55]([C:56]([CH3:57])=[O:58])[CH3:59].[CH3:10][N:11]([CH2:12][CH2:13][CH:14]([c:15]1[s:16][cH:17][cH:18][cH:19]1)[O:20][c:21]1[cH:22][cH:23][cH:24][c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]12)[CH3:31].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[ClH:32].[Na+:33].[OH2:60].[OH:34][C:35](=[O:36])[O-:37].[c:45]1([O:46][C:47]([Cl:48])=[O:49])[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH3:10][NH:11][CH2:12][CH2:13][CH:14]([c:15]1[s:16][cH:17][cH:18][cH:19]1)[O:20][c:21]1[cH:22][cH:23][cH:24][c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]12.[ClH:32]