HRID176580

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID31275

1,4-Dioxane

C4H8O2

HCID2734379

Pyridine-4-boronic acid

C5H6BNO2

结构：O=S(=O)(Oc1cccc2c1CC(N(Cc1ccccc1)Cc1ccccc1)CO2)C(F)(F)F

HCID74421935

未命名化合物

PRODUCTS

生成物

结构：c1ccc(CN(Cc2ccccc2)C2COc3cccc(-c4ccncc4)c3C2)cc1

HCID74421936

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6fe40d71fdf4863bbee2d42c35b71da
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

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