HRID691787

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24208789

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

C13H17BN2O2

结构：CS(=O)(=O)NCc1cccc(-c2nc3c(N4CCOCC4)nc(Cl)nc3s2)c1

HCID86630071

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)NCc1cccc(-c2nc3c(N4CCOCC4)nc(-c4cnc5[nH]ccc5c4)nc3s2)c1

HCID25254300

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8c6c97ae5f0490984b98537e4cb2289
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

[CH3:29][C:30]1([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35][B:36]([c:37]2[cH:38][c:39]3[c:40]([n:41][cH:42]2)[nH:43][cH:44][cH:45]3)[O:46]1.[Cl:1][c:2]1[n:3][c:4]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[c:5]2[c:6]([n:7]1)[s:8][c:9](-[c:11]1[cH:12][c:13]([CH2:14][NH:15][S:16](=[O:17])(=[O:18])[CH3:19])[cH:20][cH:21][cH:22]1)[n:10]2>>[c:2]1(-[c:37]2[cH:38][c:39]3[c:40]([n:41][cH:42]2)[nH:43][cH:44][cH:45]3)[n:3][c:4]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[c:5]2[c:6]([n:7]1)[s:8][c:9](-[c:11]1[cH:12][c:13]([CH2:14][NH:15][S:16](=[O:17])(=[O:18])[CH3:19])[cH:20][cH:21][cH:22]1)[n:10]2