HRID301500

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC1(C)OB(c2ccnc3c2cc(C=O)n3S(=O)(=O)c2ccccc2)OC1(C)C

HCID46236899

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

C20H21BN2O5S

结构：CCn1cc(Br)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1

HCID68997560

N-[4-(4-Bromo-1-ethyl-1H-pyrazol-3-yl)phenyl]-N′-phenylurea

C18H17BrN4O

PRODUCTS

生成物

结构：CCn1cc(-c2ccnc3c2cc(C=O)n3S(=O)(=O)c2ccccc2)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1

HCID46236618

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3318aded495440e7bbd3ad1f231512eb
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:1][c:2]1[c:3](-[c:9]2[cH:10][cH:11][c:12]([NH:15][C:16](=[O:17])[NH:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:13][cH:14]2)[n:4][n:5]([CH2:7][CH3:8])[cH:6]1.[c:25]1([S:31](=[O:32])(=[O:33])[n:34]2[c:35]([CH:52]=[O:53])[cH:36][c:37]3[c:38]2[n:39][cH:40][cH:41][c:42]3[B:43]2[O:44][C:45]([CH3:46])([CH3:47])[C:48]([CH3:49])([CH3:50])[O:51]2)[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[c:2]1(-[c:42]2[c:37]3[cH:36][c:35]([CH:52]=[O:53])[n:34]([S:31]([c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)(=[O:32])=[O:33])[c:38]3[n:39][cH:40][cH:41]2)[c:3](-[c:9]2[cH:10][cH:11][c:12]([NH:15][C:16](=[O:17])[NH:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:13][cH:14]2)[n:4][n:5]([CH2:7][CH3:8])[cH:6]1