HRID1239102

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

结构：Cc1cn(-c2ccc(C=C(CCCCl)C(=O)NC(c3cc(F)c(F)c(F)c3)C(C)O)cc2F)cn1

HCID178429905

未命名化合物

PRODUCTS

生成物

结构：Cc1cn(-c2ccc(C=C3CCCN(C(c4cc(F)c(F)c(F)c4)C(C)O)C3=O)cc2F)cn1

HCID178429901

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7062c8f3568c40699fe9e7ffa88bdecf
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

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