HRID303441

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

结构：CN(C)CCn1cc(-c2ccc(Br)cc2)c(OCc2ccccc2)n1

HCID67015070

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCn1cc(-c2ccc(-c3ccc(F)cc3)cc2)c(OCc2ccccc2)n1

HCID67014555

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4431536c7f69456bb8ca8592004a5d77
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[O:26][c:27]1[n:28][n:29]([CH2:39][CH2:40][N:41]([CH3:42])[CH3:43])[cH:30][c:31]1-[c:32]1[cH:33][cH:34][c:35]([Br:38])[cH:36][cH:37]1.[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[K+:16].[K+:17].[K+:18].[OH2:57].[OH:1][B:2]([OH:3])[c:4]1[cH:5][cH:6][c:7]([F:8])[cH:9][cH:10]1.[P:11]([O-:12])([O-:13])([O-:14])=[O:15]>>[c:4]1(-[c:35]2[cH:34][cH:33][c:32](-[c:31]3[c:27]([O:26][CH2:19][c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[n:28][n:29]([CH2:39][CH2:40][N:41]([CH3:42])[CH3:43])[cH:30]3)[cH:37][cH:36]2)[cH:5][cH:6][c:7]([F:8])[cH:9][cH:10]1