HRID202812

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID7237

o-Xylene

C8H10

HCID8857

Ethyl acetate

C4H8O2

结构：COc1c(F)cccc1C(C)(C)CC(O)(C=O)C(F)(F)F

HCID17989086

未命名化合物

HCID19354432

5-Methyl-1H-indazol-4-amine

C8H9N3

PRODUCTS

生成物

结构：COc1c(F)cccc1C(C)(C)CC(O)(C=Nc1c(C)ccc2[nH]ncc12)C(F)(F)F

HCID68682076

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6311c575984b49629d6de1ab6112d1a2
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

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