HRID87236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC1(C)OB(c2ccnc3c2ccn3S(=O)(=O)c2ccccc2)OC1(C)C

HCID45074546

1-(Benzenesulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

C19H21BN2O4S

结构：CN(C)CCn1cc(Br)c(-c2ccc([N+](=O)[O-])cc2)n1

HCID69003883

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCn1cc(-c2ccnc3c2ccn3S(=O)(=O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1

HCID69001263

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-315c3e0e283a47b7a2a1c671d0e782ed
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:28][c:29]1[c:30](-[c:39]2[cH:40][cH:41][c:42]([N+:45](=[O:46])[O-:47])[cH:43][cH:44]2)[n:31][n:32]([CH2:34][CH2:35][N:36]([CH3:37])[CH3:38])[cH:33]1.[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][cH:12][c:13]3[c:14]2[n:15][cH:16][cH:17][c:18]3[B:19]2[O:20][C:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][cH:12][c:13]3[c:14]2[n:15][cH:16][cH:17][c:18]3-[c:29]2[c:30](-[c:39]3[cH:40][cH:41][c:42]([N+:45](=[O:46])[O-:47])[cH:43][cH:44]3)[n:31][n:32]([CH2:34][CH2:35][N:36]([CH3:37])[CH3:38])[cH:33]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1