HRID106314

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NS(C)(=O)=O

HCID59564698

N-[2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]methanesulfonamide

C13H21BN2O5S

结构：CC(C)N1CCN(Cc2nnc(-c3cc(Br)cc4c3cnn4C)o2)CC1

HCID66695894

未命名化合物

PRODUCTS

生成物

结构：COc1ncc(-c2cc(-c3nnc(CN4CCN(C(C)C)CC4)o3)c3cnn(C)c3c2)cc1NS(C)(=O)=O

HCID46917599

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebb2db6d8d5747df9c470d5c85313f98
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

[Br:1][c:2]1[cH:3][c:4](-[c:12]2[o:13][c:14]([CH2:17][N:18]3[CH2:19][CH2:20][N:21]([CH:24]([CH3:25])[CH3:26])[CH2:22][CH2:23]3)[n:15][n:16]2)[c:5]2[cH:6][n:7][n:8]([CH3:11])[c:9]2[cH:10]1.[CH2:55]1[O:56][CH2:57][CH2:58][O:59][CH2:60]1.[CH3:27][O:28][c:29]1[n:30][cH:31][c:32]([B:40]2[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]2)[cH:33][c:34]1[NH:35][S:36](=[O:37])(=[O:38])[CH3:39].[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[OH2:61]>>[c:2]1(-[c:32]2[cH:31][n:30][c:29]([O:28][CH3:27])[c:34]([NH:35][S:36](=[O:37])(=[O:38])[CH3:39])[cH:33]2)[cH:3][c:4](-[c:12]2[o:13][c:14]([CH2:17][N:18]3[CH2:19][CH2:20][N:21]([CH:24]([CH3:25])[CH3:26])[CH2:22][CH2:23]3)[n:15][n:16]2)[c:5]2[cH:6][n:7][n:8]([CH3:11])[c:9]2[cH:10]1