HRID193367

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID2734359

3-Hydroxyphenylboronic acid

C6H7BO3

结构：O=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1OS(=O)(=O)C(F)(F)F

HCID16090324

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(O)c1

HCID11773771

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe9b473eb7ee46da8969b092f67456af
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

[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[CH3:55][CH2:56][CH2:57][CH2:58][CH2:59][CH3:60].[CH3:67][S:68]([CH3:69])=[O:70].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[c:8]([C:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)=[O:28])[cH:9][n:10][c:11]2[c:12]([C:17]([F:18])([F:19])[F:20])[cH:13][cH:14][cH:15][c:16]12)(=[O:29])=[O:30].[K+:46].[K+:47].[K+:48].[O:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1.[OH:31][c:32]1[cH:33][c:34]([B:38]([OH:39])[OH:40])[cH:35][cH:36][cH:37]1.[P:41]([O-:42])([O-:43])([O-:44])=[O:45]>>[c:7]1(-[c:34]2[cH:33][c:32]([OH:31])[cH:37][cH:36][cH:35]2)[c:8]([C:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)=[O:28])[cH:9][n:10][c:11]2[c:12]([C:17]([F:18])([F:19])[F:20])[cH:13][cH:14][cH:15][c:16]12