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

HRID 1142035
Notes
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Reaction equation

HRID 1142035 reaction equation
[CH3:39][Si:40]([C:41]([F:42])([F:43])[F:44])([CH3:45])[CH3:46].[CH3:48][CH2:49][CH2:50][CH2:51][N+:52]([CH2:53][CH2:54][CH2:55][CH3:56])([CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH2:63][CH3:64].[ClH:65].[F-:47].[O:1]=[c:2]1[n:3]([CH:29]2[CH2:30][CH2:31][CH:32]([O:35][CH2:36][CH:37]=[O:38])[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.[O:66]1[CH2:67][CH2:68][CH2:69][CH2:70]1>>[O:1]=[c:2]1[n:3]([CH:29]2[CH2:30][CH2:31][CH:32]([O:35][CH2:36][CH:37]([OH:38])[C:41]([F:42])([F:43])[F:44])[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
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 552549(Trifluoromethyl)trimethylsilaneHCID 866440424'-({5-Oxo-4-[trans-4-(2-oxoethoxy)cyclohexyl]-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrile

Product 1

HCID 670090944'-({5-Oxo-7-propyl-4-[trans-4-(3,3,3-trifluoro-2-hydroxypropoxy)cyclohexyl]-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-d9497ff2b6c9449ea7e1495038ef786d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes