HRID111328

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID28486

Lithium ion

Li+

结构：COC(=O)C(Cc1ccc(Br)cc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(F)c(C(F)(F)F)c1

HCID86613055

未命名化合物

PRODUCTS

生成物

结构：O=C(O)C(Cc1ccc(Br)cc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(F)c(C(F)(F)F)c1

HCID59458759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-970f257c7c9a4399bf554b5c3d562ffa
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

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