HRID2161150

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(B2OC(C)(C)C(C)(C)O2)c1

HCID58456089

未命名化合物

HCID67430287

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NS(=O)(=O)C1(c2ncc(-c3cc(C)cc(Nc4nccc(C(F)(F)F)n4)c3)s2)CCC1

HCID58456261

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ee608448f9d4bcc9c6e9d4c7ab2f20c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4][c:5]([C:7]2([S:11](=[O:12])(=[O:13])[NH:14][C:15]([CH3:16])=[O:17])[CH2:8][CH2:9][CH2:10]2)[s:6]1.[C:51](=[O:52])([O-:53])[O-:54].[CH3:18][c:19]1[cH:20][c:21]([NH:34][c:35]2[n:36][cH:37][cH:38][c:39]([C:41]([F:42])([F:43])[F:44])[n:40]2)[cH:22][c:23]([B:25]2[O:26][C:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33]2)[cH:24]1.[Cl:58][CH2:59][Cl:60].[Na+:55].[Na+:56].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[OH2:57]>>[c:2]1(-[c:23]2[cH:22][c:21]([NH:34][c:35]3[n:36][cH:37][cH:38][c:39]([C:41]([F:42])([F:43])[F:44])[n:40]3)[cH:20][c:19]([CH3:18])[cH:24]2)[cH:3][n:4][c:5]([C:7]2([S:11](=[O:12])(=[O:13])[NH:14][C:15]([CH3:16])=[O:17])[CH2:8][CH2:9][CH2:10]2)[s:6]1