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Acetic Acid → 4'-{[4-(4-Morpholin-4-ylcyclohexyl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile

HRID 191569
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HRID 191569 반응식
[C:42]([BH3-:43])#[N:44].[CH2:36]1[CH2:37][O:38][CH2:39][CH2:40][NH:41]1.[CH3:47][C:48](=[O:49])[OH:50].[Na+:45].[O:1]=[c:2]1[n:3]([CH:29]2[CH2:30][CH2:31][C:32](=[O:35])[CH2:33][CH2:34]2)[c:4]2[n:5]([c:6]([CH2:23][CH2:24][CH3:25])[c:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21]#[N:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[n:26][cH:27][n:28]2.[OH2:46]>>[O:1]=[c:2]1[n:3]([CH:29]2[CH2:30][CH2:31][CH:32]([N:41]3[CH2:36][CH2:37][O:38][CH2:39][CH2:40]3)[CH2:33][CH2:34]2)[c:4]2[n:5]([c:6]([CH2:23][CH2:24][CH3:25])[c:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21]#[N:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[n:26][cH:27][n:28]2
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참가 물질

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HCID 176Acetic AcidHCID 923Sodium IonHCID 962WaterHCID 8083MorpholineHCID 498716Cyano-borohydrideHCID 670088534'-{[5-Oxo-4-(4-oxocyclohexyl)-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile

생성물 1

HCID 67008840
4'-{[4-(4-Morpholin-4-ylcyclohexyl)-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-eaad6fceb0744e159bcabaf377bfad2d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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