4-Fluorobenzaldehyde → 6-[4-[(4-Fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

HRID 195494

반응식

HRID 195494 반응식
[F:21][c:22]1[cH:23][cH:24][c:25]([CH:26]=[O:27])[cH:28][cH:29]1.[N:1]1([c:8]2[cH:9][cH:10][c:11]3[n:12]([n:13]2)[c:14]([C:17]([F:18])([F:19])[F:20])[n:15][n:16]3)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6][CH2:7]1>>[N:1]1([c:8]2[cH:9][cH:10][c:11]3[n:12]([n:13]2)[c:14]([C:17]([F:18])([F:19])[F:20])[n:15][n:16]3)[CH2:2][CH2:3][N:4]([CH2:26][c:25]2[cH:24][cH:23][c:22]([F:21])[cH:29][cH:28]2)[CH2:5][CH2:6][CH2:7]1

참가 물질

3

반응물 2

HCID 680234-FluorobenzaldehydeHCID 673406096-(1,4-Diazepan-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

생성물 1

HCID 245878786-[4-[(4-Fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

출처 및 근거

ORD 기록
ord-b039eb3c49b643ae8e0237317fd4ae3d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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