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

HRID 155292Notes

Reaction equation

HRID 155292 reaction equation
[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:61][S:62](=[O:63])[CH3:64].[ClH:60].[OH:1][CH2:2][C:3]1([CH2:7][O:8][CH:9]2[CH2:10][CH2:11][CH:12]([n:15]3[c:16]4[n:17]([c:18]([CH2:37][CH2:38][CH3:39])[c:19]([CH2:22][c:23]5[cH:24][cH:25][c:26](-[c:29]6[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]6)[cH:27][cH:28]5)[c:20]3=[O:21])[n:40][cH:41][n:42]4)[CH2:13][CH2:14]2)[CH2:4][CH2:5][CH2:6]1.[S:56](=[O:57])(=[O:58])=[O:59].[n:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[O:1]=[CH:2][C:3]1([CH2:7][O:8][CH:9]2[CH2:10][CH2:11][CH:12]([n:15]3[c:16]4[n:17]([c:18]([CH2:37][CH2:38][CH3:39])[c:19]([CH2:22][c:23]5[cH:24][cH:25][c:26](-[c:29]6[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]6)[cH:27][cH:28]5)[c:20]3=[O:21])[n:40][cH:41][n:42]4)[CH2:13][CH2:14]2)[CH2:4][CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 1049PyridineHCID 8471TriethylamineHCID 24682Sulfur trioxideHCID 67009296HCID 67009296, compound

Product 1

HCID 866440344'-[(4-{trans-4-[(1-Formylcyclobutyl)methoxy]cyclohexyl}-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-1a278674e9644ce4b858307efc51feb6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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