HRID695814

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCn1cc(Br)c(-c2ccc(NC(=O)N(C)C)cc2)n1

HCID68999367

未命名化合物

结构：O=S(=O)(c1ccccc1)n1c(-c2cccc(N3CCOCC3)c2)cc2c(Br)ccnc21

HCID69003210

4-Bromo-2-[3-(4-morpholinyl)phenyl]-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine

C23H20BrN3O3S

PRODUCTS

生成物

结构：CCn1cc(-c2ccnc3c2cc(-c2cccc(N4CCOCC4)c2)n3S(=O)(=O)c2ccccc2)c(-c2ccc(NC(=O)N(C)C)cc2)n1

HCID68996633

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c52f0300d564f1f8193c2fc72cc1fc7
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[c:3]2[c:4]([n:5][cH:6][cH:7]1)[n:8]([S:23](=[O:24])(=[O:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[c:9](-[c:11]1[cH:12][c:13]([N:17]3[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[cH:14][cH:15][cH:16]1)[cH:10]2.[Br:32][c:33]1[c:34](-[c:40]2[cH:41][cH:42][c:43]([NH:46][C:47]([N:48]([CH3:49])[CH3:50])=[O:51])[cH:44][cH:45]2)[n:35][n:36]([CH2:38][CH3:39])[cH:37]1>>[c:2]1(-[c:33]2[c:34](-[c:40]3[cH:41][cH:42][c:43]([NH:46][C:47]([N:48]([CH3:49])[CH3:50])=[O:51])[cH:44][cH:45]3)[n:35][n:36]([CH2:38][CH3:39])[cH:37]2)[c:3]2[c:4]([n:5][cH:6][cH:7]1)[n:8]([S:23](=[O:24])(=[O:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[c:9](-[c:11]1[cH:12][c:13]([N:17]3[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[cH:14][cH:15][cH:16]1)[cH:10]2