HRID1211013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

HCID66716668

未命名化合物

结构：CSc1ccc(Br)c(CN2C(=O)OC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2C)c1

HCID72525988

未命名化合物

PRODUCTS

生成物

结构：CSc1ccc(-c2cc(C(C)C)c(F)cc2Cl)c(CN2C(=O)OC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2C)c1

HCID73061609

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dcd03c7e768144b586e4e4756d9b95f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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