HRID293158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

结构：CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

HCID3868489

N,N-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide

C14H22BNO4S

HCID178516005

未命名化合物

结构：O=C1CCCCC(CCc2nc3cc(-c4ccccc4)cnc3[nH]2)N1

HCID178516006

未命名化合物

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)c1ccc(-c2cnc3[nH]c(CCC4CCCCC(=O)N4)nc3c2)cc1

HCID178486133

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87486119afa74c50876f61599f35215f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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