HRID666469

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

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

结构：CS(=O)(=O)CCNC1CCN(c2cnc3ccc(Br)cc3n2)CC1

HCID68504194

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)CCNC1CCN(c2cnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cc3n2)CC1

HCID57843482

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff85038e818e4dcf9cdec73c3c5e3a2e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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