HRID179926

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734383

3-(Methylthio)phenylboronic acid

C7H9BO2S

结构：CC(=O)Nc1cn2nc(-c3cccc(NS(=O)(=O)c4ccc(C)cc4)c3)ccc2n1

HCID44124523

未命名化合物

HCID59519510

N-(6-Chloroimidazo[1,2-b]pyridazin-2-yl)acetamide

C8H7ClN4O

PRODUCTS

生成物

HCID44124751

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3051deeeda644cd68e78060a2ebb5d34
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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