HRID96435

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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：O=S(=O)(c1ccccc1)n1ncc2c(-c3nnc(CN4CCN5CCCC5C4)o3)cc(Br)cc21

HCID178527320

未命名化合物

PRODUCTS

生成物

结构：COc1ncc(-c2cc(-c3nnc(CN4CCN5CCCC5C4)o3)c3cnn(S(=O)(=O)c4ccccc4)c3c2)cc1NS(C)(=O)=O

HCID178494074

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79297ef0b1334512b36bd1701e0248fa
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:20]2[o:21][c:22]([CH2:25][N:26]3[CH2:27][CH:28]4[N:29]([CH2:30][CH2:31]3)[CH2:32][CH2:33][CH2:34]4)[n:23][n:24]2)[c:5]2[cH:6][n:7][n:8]([S:11](=[O:12])(=[O:13])[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[c:9]2[cH:10]1.[CH3:35][O:36][c:37]1[n:38][cH:39][c:40]([B:48]2[O:49][C:50]([CH3:51])([CH3:52])[C:53]([CH3:54])([CH3:55])[O:56]2)[cH:41][c:42]1[NH:43][S:44](=[O:45])(=[O:46])[CH3:47]>>[c:2]1(-[c:40]2[cH:39][n:38][c:37]([O:36][CH3:35])[c:42]([NH:43][S:44](=[O:45])(=[O:46])[CH3:47])[cH:41]2)[cH:3][c:4](-[c:20]2[o:21][c:22]([CH2:25][N:26]3[CH2:27][CH:28]4[N:29]([CH2:30][CH2:31]3)[CH2:32][CH2:33][CH2:34]4)[n:23][n:24]2)[c:5]2[cH:6][n:7][n:8]([S:11](=[O:12])(=[O:13])[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[c:9]2[cH:10]1