Hydrochloric Acid → 2-[(trans-4-{6-[(2'-cyanobiphenyl-4-yl)methyl]-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}cyclohexyl)oxy]-N-methoxy-N-methylacetamide

HRID 167490Notes

Reaction equation

HRID 167490 reaction equation
[C:1](#[N:2])[c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12]([CH2:15][c:16]3[c:17](=[O:39])[n:18]([CH:28]4[CH2:29][CH2:30][CH:31]([O:34][CH2:35][C:36](=[O:37])[OH:38])[CH2:32][CH2:33]4)[c:19]4[n:20]([c:21]3[CH2:22][CH2:23][CH3:24])[n:25][cH:26][n:27]4)[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1.[CH2:56]([N:57]=[C:58]=[N:59][CH2:60][CH2:61][CH2:62][N:63]([CH3:64])[CH3:65])[CH3:66].[CH3:41][O:42][NH:43][CH3:44].[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[CH3:73][N:74]([CH3:75])[CH:76]=[O:77].[CH3:78][CH2:79][N:80]([CH2:81][CH3:82])[CH2:83][CH3:84].[ClH:40].[ClH:55].[OH:45][n:46]1[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[C:1](#[N:2])[c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12]([CH2:15][c:16]3[c:17](=[O:39])[n:18]([CH:28]4[CH2:29][CH2:30][CH:31]([O:34][CH2:35][C:36](=[O:37])[N:43]([O:42][CH3:41])[CH3:44])[CH2:32][CH2:33]4)[c:19]4[n:20]([c:21]3[CH2:22][CH2:23][CH3:24])[n:25][cH:26][n:27]4)[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 14232N,O-DimethylhydroxylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 67010215[(trans-4-{6-[(2'-cyanobiphenyl-4-yl)methyl]-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}cyclohexyl)oxy]acetic acid

Product 1

HCID 866440322-[(trans-4-{6-[(2'-cyanobiphenyl-4-yl)methyl]-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}cyclohexyl)oxy]-N-methoxy-N-methylacetamide

Sources & evidence

ORD record
ord-11140c5ac38443ab93c5fb8aaadae725
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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