HRID199610

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID11159514

2-fluoro-4-(trifluoromethyl)pyridine

C6H3F4N

HCID59222936

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(CCNc2ncnc3c(F)ccc(F)c23)ccc1Oc1cc(C(F)(F)F)ccn1

HCID46183670

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8372b647b8e44b21bde1c3fdb697ced0
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

[C:35](=[O:36])([O-:37])[O-:38].[CH3:42][S:43]([CH3:44])=[O:45].[F:1][c:2]1[c:3]2[c:4]([NH:13][CH2:14][CH2:15][c:16]3[cH:17][c:18]([CH3:23])[c:19]([OH:22])[cH:20][cH:21]3)[n:5][cH:6][n:7][c:8]2[c:9]([F:12])[cH:10][cH:11]1.[F:24][c:25]1[n:26][cH:27][cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]1.[K+:39].[K+:40].[OH2:41]>>[F:1][c:2]1[c:3]2[c:4]([NH:13][CH2:14][CH2:15][c:16]3[cH:17][c:18]([CH3:23])[c:19]([O:22][c:25]4[n:26][cH:27][cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]4)[cH:20][cH:21]3)[n:5][cH:6][n:7][c:8]2[c:9]([F:12])[cH:10][cH:11]1