5-(Methylsulphonyl)pyridine-3-boronic acid → 2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-9-(5-methanesulfonyl-pyridin-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

HRID 141847

반응식

HRID 141847 반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:23]1)-[c:7]1[n:8][c:9](-[c:15]3[n:16]([CH:20]([CH3:21])[CH3:22])[n:17][cH:18][n:19]3)[s:10][c:11]1[CH2:12][CH2:13][O:14]2.[CH3:24][S:25](=[O:26])(=[O:27])[c:28]1[cH:29][c:30]([B:34]([OH:35])[OH:36])[cH:31][n:32][cH:33]1>>[c:2]1(-[c:30]2[cH:29][c:28]([S:25]([CH3:24])(=[O:26])=[O:27])[cH:33][n:32][cH:31]2)[cH:3][cH:4][c:5]2[c:6]([cH:23]1)-[c:7]1[n:8][c:9](-[c:15]3[n:16]([CH:20]([CH3:21])[CH3:22])[n:17][cH:18][n:19]3)[s:10][c:11]1[CH2:12][CH2:13][O:14]2

참가 물질

3

반응물 2

HCID 441193815-(Methylsulphonyl)pyridine-3-boronic acidHCID 532349749-Bromo-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

생성물 1

HCID 582036942-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-9-(5-methanesulfonyl-pyridin-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

출처 및 근거

ORD 기록
ord-4361559ceff84e4d841b19c577bd8537
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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