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Toluene → 4'-({4-[trans-4-(3-Fluoro-2-hydroxypropoxy)cyclohexyl]-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrile

HRID 1206652
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HRID 1206652 반응식
[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Cl:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[FH:40].[K:41].[O:1]1[CH:2]([CH2:4][O:5][CH:6]2[CH2:7][CH2:8][CH:9]([n:12]3[c:13]4[n:14]([c:15]([CH2:34][CH2:35][CH3:36])[c:16]([CH2:19][c:20]5[cH:21][cH:22][c:23](-[c:26]6[c:27]([C:32]#[N:33])[cH:28][cH:29][cH:30][cH:31]6)[cH:24][cH:25]5)[c:17]3=[O:18])[n:37][cH:38][n:39]4)[CH2:10][CH2:11]2)[CH2:3]1>>[OH:1][CH:2]([CH2:3][F:40])[CH2:4][O:5][CH:6]1[CH2:7][CH2:8][CH:9]([n:12]2[c:13]3[n:14]([c:15]([CH2:34][CH2:35][CH3:36])[c:16]([CH2:19][c:20]4[cH:21][cH:22][c:23](-[c:26]5[c:27]([C:32]#[N:33])[cH:28][cH:29][cH:30][cH:31]5)[cH:24][cH:25]4)[c:17]2=[O:18])[n:37][cH:38][n:39]3)[CH2:10][CH2:11]1
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반응물 5

HCID 1140TolueneHCID 7964ChlorobenzeneHCID 14917Hydrofluoric AcidHCID 5462222PotassiumHCID 866440434'-({4-[trans-4-(Oxiran-2-ylmethoxy)cyclohexyl]-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrile

생성물 1

HCID 67008539
4'-({4-[trans-4-(3-Fluoro-2-hydroxypropoxy)cyclohexyl]-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrile

출처 및 근거

ORD 기록
ord-639c2237ca8848c6933e7c393112d5e2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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