Hydrochloric Acid → 1-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 6136576-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine

HCID 107047401-(Piperidin-4-yl)-1h-benzo[d][1,3]oxazin-2(4h)-one

생성물 1

HCID 673411941-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one

출처 및 근거

ORD 기록: ord-146182f5d8144516ac295f58003dbcf3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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