HRID1208947

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6422

未命名化合物

HCID81531

Diisopropylethylamine

C8H19N

HCID12069438

未命名化合物

结构：Cc1nc(Cl)c2c(C)c(C)n(-c3c(C(C)C)csc3C)c2n1

HCID86589907

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(N2CCC=C(C(N)=O)C2)c2c(C)c(C)n(-c3c(C(C)C)csc3C)c2n1

HCID69708910

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4199cbed09141ed9c6af3898582d864
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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