HRID97357

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID26255

Tetrafluoroborate

BF4-

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

HCID4060964

未命名化合物

结构：COC(=O)C1(NC(=O)c2ccc(OC)c(Br)c2)CCC(C)CC1

HCID67171124

未命名化合物

HCID86672570

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1(NC(=O)c2ccc(OC)c(-c3c(F)cc(OC)c(Cl)c3F)c2)CCC(C)CC1

HCID86672571

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc68d035621b4c09b797c7958f9adf14
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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