Trifluoroacetic acid → (Z)-9-(4-fluorophenyl)-N-(3-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)-8,9-dihydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine

반응식

[CH2:1]([CH:2]=[CH2:3])[n:4]1[n:5][c:6]([NH:20][c:21]2[cH:22][c:23]([O:33][CH3:34])[c:24](-[n:27]3[n:28][c:29]([CH3:32])[n:30][cH:31]3)[cH:25][cH:26]2)[n:7][c:8]1[CH:9]([CH2:10][CH:11]=[CH2:12])[c:13]1[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]1.[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41]>>[CH2:1]1[n:4]2[n:5][c:6]([NH:20][c:21]3[cH:22][c:23]([O:33][CH3:34])[c:24](-[n:27]4[n:28][c:29]([CH3:32])[n:30][cH:31]4)[cH:25][cH:26]3)[n:7][c:8]2[CH:9]([c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[CH2:10][CH:11]=[CH:12]1

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 668585511-allyl-5-(1-(4-fluorophenyl)but-3-enyl)-N-(3-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)-1H-1,2,4-triazol-3-amine

생성물 1

HCID 58110041(Z)-9-(4-fluorophenyl)-N-(3-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)-8,9-dihydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine

출처 및 근거

ORD 기록: ord-1f921ceee04b438789a41d7ee6926152
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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