HRID1555236

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：CC1(C)OB(c2cncc(NS(=O)(=O)c3ccccc3)c2)OC1(C)C

HCID52936632

N-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]benzenesulfonamide

C17H21BN2O4S

HCID68509491

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1ccccc1)Nc1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cc2n1

HCID57843363

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4c2e5104adb43d29d602c2c7d1c3861
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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