HRID152497

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

4 次

HCID962

Water

H2O

HCID971

Oxalic acid

C2H2O4

HCID1086

Dithionite

O4S2-2

HCID3283

Diethyl Ether

C4H10O

HCID19660

Carbonate

CO3-2

HCID12888900

{5-[(Dimethylamino)methyl]furan-2-yl}methanethiol

C8H13NOS

HCID71321938

2-{[1-(Aziridin-1-yl)-2-nitroethenyl]amino}ethan-1-ol

C6H11N3O3

PRODUCTS

生成物

结构：CN(C)Cc1ccc(CSCCNC(=C[N+](=O)[O-])NCCO)o1

HCID70489858

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90597affbf5b459d9b57ec82bc9f772a
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

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