1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine → 4,6-Bis(trifluoromethyl)-2-[4-(3-trifluoromethylpyridin-2-yl)piperazin-1-yl]-1H-benzoimidazole

반응식

[F:19][C:20]([c:21]1[c:22]([N:27]2[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]2)[n:23][cH:24][cH:25][cH:26]1)([F:33])[F:34].[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([F:14])([F:15])[F:16])[cH:6][c:7]2[nH:8][c:9]([Cl:12])[n:10][c:11]12)([F:17])[F:18]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([F:14])([F:15])[F:16])[cH:6][c:7]2[nH:8][c:9]([N:30]3[CH2:29][CH2:28][N:27]([c:22]4[c:21]([C:20]([F:19])([F:33])[F:34])[cH:26][cH:25][cH:24][n:23]4)[CH2:32][CH2:31]3)[n:10][c:11]12)([F:17])[F:18]

참가 물질

반응물 2

HCID 27777861-[3-(Trifluoromethyl)pyridin-2-yl]piperazine

HCID 115293882-chloro-4,6-bis(trifluoromethyl)-1H-benzo[d]imidazole

생성물 1

HCID 114967254,6-Bis(trifluoromethyl)-2-[4-(3-trifluoromethylpyridin-2-yl)piperazin-1-yl]-1H-benzoimidazole

출처 및 근거

ORD 기록: ord-c1651c4346eb447c9e2c54166ce66a02
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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