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Triethylamine → 2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-8-[1-(2,2,2-trifluoro-ethyl)-azetidin-3-yl]-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

HRID 692467
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HRID 692467 반응식
[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[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.[S:27]([O:28][CH2:35][C:36]([F:37])([F:38])[F:39])([C:29]([F:30])([F:31])[F:32])(=[O:33])=[O:34]>>[N:1]1([CH2:35][C:36]([F:37])([F:38])[F:39])[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
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반응물 3

HCID 8471TriethylamineHCID 803662,2,2-Trifluoroethyl trifluoromethanesulfonateHCID 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 582042802-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-8-[1-(2,2,2-trifluoro-ethyl)-azetidin-3-yl]-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

출처 및 근거

ORD 기록
ord-a77a715b4b674ec6b7fff0b2afa108c0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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