HRID100546

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID9340

Norchlorcyclizine

C17H19ClN2

HCID19026975

未命名化合物

HCID19026982

未命名化合物

PRODUCTS

产物

HCID19026993

4-[4-(4-Chlorobenzhydryl)piperazino]methyl-2-dimethylaminophenol

C26H30ClN3O

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d1aba769d3ca4b80b1936bb88cb0d3c1
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

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