HRID303231

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

HCID2734374

5-Methylthiophene-2-boronic acid

C5H7BO2S

结构：O=C(N1CCc2ccc(Cl)c(OS(=O)(=O)C(F)(F)F)c2CC1)C(F)(F)F

HCID57447747

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)s1

HCID86622781

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e0ae4c6905a4f0097e510e98c0a99ec
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

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