HRID106160

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID197148

Chlorite

ClO2-

HCID5314561

3-hydroxy-5-methoxybenzaldehyde

C8H8O3

HCID21935825

未命名化合物

HCID21935851

未命名化合物

HCID22490247

Ethyl-bromoisobutyrate

C6H10BrO2-

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1cc(OC)cc(C(=O)N(C)Cc2ccc(-c3ccc(C(F)(F)F)cc3)nc2C)c1

HCID67072507

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff7a90e71d8b43b9b6aeedd4ea72de1c
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

[CH2:21]([CH3:22])[O:23][C:24](=[O:25])[C:26]([CH3:27])([O:28][c:29]1[cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:35][c:36]([O:38][CH3:39])[cH:37]1)[CH3:40].[CH2:52]([CH2:53][C:54]([Br:55])([CH3:56])[C:57]([O-:58])=[O:59])[CH3:60].[CH3:1][NH:2][CH2:3][c:4]1[c:5]([CH3:20])[n:6][c:7](-[c:10]2[cH:11][cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[cH:8][cH:9]1.[Cl+:61]([O-:62])[O-:63].[Na+:64].[OH:41][c:42]1[cH:43][c:44]([CH:50]=[O:51])[cH:45][c:46]([O:47][CH3:48])[cH:49]1>>[CH3:1][N:2]([CH2:3][c:4]1[c:5]([CH3:20])[n:6][c:7](-[c:10]2[cH:11][cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[cH:8][cH:9]1)[C:32]([c:31]1[cH:30][c:29]([O:28][C:26]([C:24]([O:23][CH2:21][CH3:22])=[O:25])([CH3:27])[CH3:40])[cH:37][c:36]([O:38][CH3:39])[cH:35]1)=[O:34]