1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepane → 3-[Chloro(difluoro)methyl]-6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl][1,2,4]triazolo[4,3-b]pyridazine

HRID 143101

반응식

HRID 143101 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])[Cl:32])[n:27][n:28]2.[Cl:1][c:2]1[c:3]([N:12]2[CH2:13][CH2:14][NH:15][CH2:16][CH2:17][CH2:18]2)[n:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1>>[Cl:1][c:2]1[c:3]([N:12]2[CH2:13][CH2:14][N:15]([c:20]3[cH:21][cH:22][c:23]4[n:24]([n:25]3)[c:26]([C:29]([F:30])([F:31])[Cl:32])[n:27][n:28]4)[CH2:16][CH2:17][CH2:18]2)[n:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1

참가 물질

3

반응물 2

HCID 7357341-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepaneHCID 14891146-Chloro-3-[chloro(difluoro)methyl][1,2,4]triazolo[4,3-b]pyridazine

생성물 1

HCID 591497183-[Chloro(difluoro)methyl]-6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl][1,2,4]triazolo[4,3-b]pyridazine

출처 및 근거

ORD 기록
ord-4d0702a797ed4c34a062023e3b1b4c27
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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