HRID176008

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID8868

Ethyl acetoacetate

C6H10O3

HCID28486

Lithium ion

Li+

2 次

HCID30165

Iodide ion

I-

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID4574913

未命名化合物

HCID59139234

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(Cc1ccnc(N=C(c2ccccc2)c2ccccc2)c1F)C(C)=O

HCID59139286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f21073b60904cf4a79b21161aac3d53
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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