5-(Methylsulphonyl)pyridine-3-boronic acid → HCID 44124752, 화합물

반응식

[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([NH:7][c:8]2[cH:9][c:10](-[c:11]3[cH:12][cH:13][c:14]4[n:15]([cH:16][c:17]([NH:18][C:19](=[O:20])[CH3:21])[n:22]4)[n:23]3)[cH:24][cH:25][cH:26]2)(=[O:27])=[O:28])[cH:29][cH:30]1.[CH3:45][S:46](=[O:47])(=[O:48])[c:49]1[cH:50][c:51]([B:55]([OH:56])[OH:57])[cH:52][n:53][cH:54]1.[Cl:31][c:32]1[cH:33][cH:34][c:35]2[n:36]([n:37]1)[cH:38][c:39]([NH:41][C:42]([CH3:43])=[O:44])[n:40]2>>[c:32]1(-[c:51]2[cH:50][c:49]([S:46]([CH3:45])(=[O:47])=[O:48])[cH:54][n:53][cH:52]2)[cH:33][cH:34][c:35]2[n:36]([n:37]1)[cH:38][c:39]([NH:41][C:42]([CH3:43])=[O:44])[n:40]2

참가 물질

반응물 3

HCID 441193815-(Methylsulphonyl)pyridine-3-boronic acid

HCID 44124523N-(6-(3-(4-Methylphenylsulfonamido)phenyl)imidazo[1,2-b]pyridazin-2-yl)acetamide

HCID 59519510N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)acetamide

생성물 1

HCID 44124752HCID 44124752, 화합물

출처 및 근거

ORD 기록: ord-3b090be234df4239a2de7d04ab2e2add
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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