1,3-Oxazole-2-carboxaldehyde → 2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-8-(1-oxazol-2-ylmethyl-azetidin-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

HRID 664834

반응식

HRID 664834 반응식
[NH:1]1[CH2:2][CH:3]([c:5]2[cH:6][c:7]3[c:8]([cH:25][cH:26]2)-[c:9]2[n:10][c:11](-[c:17]4[n:18]([CH:22]([CH3:23])[CH3:24])[n:19][cH:20][n:21]4)[s:12][c:13]2[CH2:14][CH2:15][O:16]3)[CH2:4]1.[o:27]1[c:28]([CH:32]=[O:33])[n:29][cH:30][cH:31]1>>[N:1]1([CH2:32][c:28]2[o:27][cH:31][cH:30][n:29]2)[CH2:2][CH:3]([c:5]2[cH:6][c:7]3[c:8]([cH:25][cH:26]2)-[c:9]2[n:10][c:11](-[c:17]4[n:18]([CH:22]([CH3:23])[CH3:24])[n:19][cH:20][n:21]4)[s:12][c:13]2[CH2:14][CH2:15][O:16]3)[CH2:4]1

참가 물질

3

반응물 2

HCID 147866091,3-Oxazole-2-carboxaldehydeHCID 582040768-Azetidin-3-yl-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 582041672-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-8-(1-oxazol-2-ylmethyl-azetidin-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

출처 및 근거

ORD 기록
ord-b70268638d7644cba882389ea16ac931
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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