Acetonitrile → 1-(3,5-Bis-trifluoromethyl-benzyl)-5-pyridin-3-yl-1H-imidazole-4-carbonitrile

반응식

[CH2:24]([Sn:25]([CH2:26][CH2:27][CH2:28][CH3:35])([c:29]1[cH:30][n:31][cH:32][cH:33][cH:34]1)[CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH2:41][CH3:42].[CH3:43][C:44]#[N:45].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][n:7]2[cH:8][n:9][c:10]([C:13]#[N:14])[c:11]2[I:12])[cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]1)([F:22])[F:23]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][n:7]2[cH:8][n:9][c:10]([C:13]#[N:14])[c:11]2-[c:29]2[cH:30][n:31][cH:32][cH:33][cH:34]2)[cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]1)([F:22])[F:23]

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 34838483-(Tributylstannyl)pyridine

HCID 866012221-(3,5-Bis-trifluoromethyl-benzyl)-5-iodo-1H-imidazole-4-carbonitrile

생성물 1

HCID 866012211-(3,5-Bis-trifluoromethyl-benzyl)-5-pyridin-3-yl-1H-imidazole-4-carbonitrile

출처 및 근거

ORD 기록: ord-304762b7bf204f1bbf3997f3a66bae54
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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