2-Chlorobenzaldehyde → 9-[1-(2-Chloro-benzyl)-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

반응식

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

참가 물질

반응물 2

HCID 69962-Chlorobenzaldehyde

HCID 670505299-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 582041909-[1-(2-Chloro-benzyl)-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

출처 및 근거

ORD 기록: ord-321773ba342a46bda9c35ee3e342c241
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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