HRID96810

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID53629630

(Azetidin-1-yl)(2-chloro-1,3-thiazol-5-yl)methanone

C7H7ClN2OS

HCID59127183

3-Hydroxy-N-(1-methyl-1H-pyrazol-3-yl)-5-[(propan-2-yl)oxy]benzamide

C14H17N3O3

PRODUCTS

生成物

结构：CC(C)Oc1cc(Oc2ncc(C(=O)N3CCC3)s2)cc(C(=O)Nc2ccn(C)n2)c1

HCID16040146

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6187f23ece6b499fa7d8fbc9d83af8c2
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

[C:1](=[O:2])([O-:3])[O-:4].[CH3:39][C:40]#[N:41].[Cs+:5].[Cs+:6].[N:27]1([C:31](=[O:32])[c:33]2[cH:34][n:35][c:36]([Cl:38])[s:37]2)[CH2:28][CH2:29][CH2:30]1.[OH:7][c:8]1[cH:9][c:10]([C:11](=[O:12])[NH:13][c:14]2[n:15][n:16]([CH3:19])[cH:17][cH:18]2)[cH:20][c:21]([O:23][CH:24]([CH3:25])[CH3:26])[cH:22]1>>[O:7]([c:8]1[cH:9][c:10]([C:11](=[O:12])[NH:13][c:14]2[n:15][n:16]([CH3:19])[cH:17][cH:18]2)[cH:20][c:21]([O:23][CH:24]([CH3:25])[CH3:26])[cH:22]1)[c:36]1[n:35][cH:34][c:33]([C:31]([N:27]2[CH2:28][CH2:29][CH2:30]2)=[O:32])[s:37]1