HRID205905

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8071

未命名化合物

HCID2734624

4-Hydroxyphenylboronic acid pinacol ester

C12H17BO3

HCID86623731

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OB(c2ccc(OCCN(CC(F)(F)F)c3ccc(C#N)c(C(F)(F)F)c3)cc2)OC1(C)C

HCID86623735

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-782d2e17531e4b9a9f75a6138d768fbe
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

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