HRID1221198

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID26255

Tetrafluoroborate

BF4-

HCID31275

1,4-Dioxane

C4H8O2

HCID201262

Benzeneboronic acid, p-methoxy-

C7H9BO3

HCID4060964

未命名化合物

结构：Cn1c(=O)c2c(c(Br)c(N3CCCC(NC(=O)OC(C)(C)C)C3)n2Cc2ccccc2Cl)n(C)c1=O

HCID178481322

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2c(N3CCCC(NC(=O)OC(C)(C)C)C3)n(Cc3ccccc3Cl)c3c(=O)n(C)c(=O)n(C)c23)cc1

HCID178488730

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-355c10b420144b6c9074f0042e3e5b5f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[B-:1]([F:2])([F:3])([F:4])[F:5].[Br:38][c:39]1[c:40]([N:60]2[CH2:61][CH:62]([NH:66][C:67]([O:68][C:69]([CH3:70])([CH3:71])[CH3:72])=[O:73])[CH2:63][CH2:64][CH2:65]2)[n:41]([CH2:52][c:53]2[c:54]([Cl:59])[cH:55][cH:56][cH:57][cH:58]2)[c:42]2[c:43]1[n:44]([CH3:51])[c:45](=[O:50])[n:46]([CH3:49])[c:47]2=[O:48].[C:6]([PH+:7]([C:8]([CH3:9])([CH3:10])[CH3:11])[C:12]([CH3:13])([CH3:14])[CH3:15])([CH3:16])([CH3:17])[CH3:18].[CH3:27][O:28][c:29]1[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1.[K+:24].[K+:25].[K+:26].[O:74]1[CH2:75][CH2:76][O:77][CH2:78][CH2:79]1.[P:19]([O-:20])([O-:21])([O-:22])=[O:23]>>[CH3:27][O:28][c:29]1[cH:30][cH:31][c:32](-[c:39]2[c:40]([N:60]3[CH2:61][CH:62]([NH:66][C:67]([O:68][C:69]([CH3:70])([CH3:71])[CH3:72])=[O:73])[CH2:63][CH2:64][CH2:65]3)[n:41]([CH2:52][c:53]3[c:54]([Cl:59])[cH:55][cH:56][cH:57][cH:58]3)[c:42]3[c:43]2[n:44]([CH3:51])[c:45](=[O:50])[n:46]([CH3:49])[c:47]3=[O:48])[cH:33][cH:34]1