HRID200450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID9603

p-Fluorotoluene

C7H7F

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID61668

Boronic acid

H3BO2

结构：CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)cc1I

HCID86624198

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(F)cc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID59215889

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-886ded1e72d3493a80812a62a19b1056
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

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