HRID174419

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID60984

Methyl bromoacetate

C3H5BrO2

HCID4574913

未命名化合物

结构：O=C(Nc1ccn(Cc2ccc(O)cc2C(F)(F)F)n1)c1c(F)cccc1F

HCID59547990

未命名化合物

PRODUCTS

生成物

结构：COC(=O)COc1ccc(Cn2ccc(NC(=O)c3c(F)cccc3F)n2)c(C(F)(F)F)c1

HCID59547971

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ab65157880b43348e4b449b9866412a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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