HRID696683

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID27099

Copper(2+)

Cu+2

HCID23005335

[3-Chloro-4-(methoxycarbonyl)phenyl]boronic acid

C8H8BClO4

结构：CC(c1ccc(O)cc1Cl)C(O)(c1ccc2oc(=O)n(C)c2c1)C(F)(F)F

HCID66696986

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(Oc2ccc(C(C)C(O)(c3ccc4oc(=O)n(C)c4c3)C(F)(F)F)c(Cl)c2)cc1Cl

HCID66697119

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb9fe34064254299b3f20f46f6bcbbcf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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