HRID115052

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID63164286

未命名化合物

HCID69101016

未命名化合物

PRODUCTS

产物

HCID72371107

N-(2-amino-5-thiophen-2-ylphenyl)-4-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide

C20H17N3O3S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8124c3e2bd18442eb4c0372134fb6068
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

[CH3:4][N:5]([CH3:6])[CH:7]1[CH2:8][CH2:9][N:10]([CH2:11][c:12]2[cH:13][cH:14][c:15]([C:16]([OH:17])=[O:18])[cH:19][cH:20]2)[CH2:21]1.[CH3:55][OH:56].[Cl:57][CH2:58][Cl:59].[ClH:1].[F:22][C:23]([F:24])([F:25])[C:26]([OH:27])=[O:28].[NH2:29][c:30]1[c:31]([NH:41][C:42](=[O:43])[c:44]2[cH:45][cH:46][c:47]([CH:50]=[CH:51][C:52](=[O:53])[OH:54])[cH:48][cH:49]2)[cH:32][c:33](-[c:36]2[s:37][cH:38][cH:39][cH:40]2)[cH:34][cH:35]1.[OH:2][NH2:3]>>[OH:2][NH:3][C:52]([CH:51]=[CH:50][c:47]1[cH:46][cH:45][c:44]([C:42]([NH:41][c:31]2[c:30]([NH2:29])[cH:35][cH:34][c:33](-[c:36]3[s:37][cH:38][cH:39][cH:40]3)[cH:32]2)=[O:43])[cH:49][cH:48]1)=[O:53]