Hydrochloric Acid → HCID 67008592, compound

HRID 1233035Notes

Reaction equation

HRID 1233035 reaction equation
[C:1](#[N:2])[c:3]1[c:4](-[c:9]2[cH:10][c:11]([F:55])[c:12]([CH2:15][c:16]3[c:17](=[O:54])[n:18]([CH:28]4[CH2:29][CH2:30][CH:31]([O:34][CH:35]([C:36](=[O:37])[O:38][CH2:39][CH3:40])[CH2:41][CH2:42][O:43][S:44]([c:45]5[cH:46][cH:47][c:48]([CH3:49])[cH:50][cH:51]5)(=[O:52])=[O:53])[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.[CH3:56][C:57]([CH3:58])([O-:59])[CH3:60].[ClH:62].[K+:61].[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1>>[C:1](#[N:2])[c:3]1[c:4](-[c:9]2[cH:10][c:11]([F:55])[c:12]([CH2:15][c:16]3[c:17](=[O:54])[n:18]([CH:28]4[CH2:29][CH2:30][CH:31]([O:34][C:35]5([C:36](=[O:37])[O:38][CH2:39][CH3:40])[CH2:41][CH2:42]5)[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

6

Reactant 5

HCID 313Hydrochloric AcidHCID 813Potassium CationHCID 8028TetrahydrofuranHCID 45749132-Methylpropan-2-olateHCID 86644046ethyl 2-[(trans-4-{6-[(2'-cyano-3-fluorobiphenyl-4-yl)methyl]-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}cyclohexyl)oxy]-4-{[(4-methylphenyl)sulfonyl]oxy}butanoate

Product 1

HCID 67008592HCID 67008592, compound

Sources & evidence

ORD record
ord-ca57660ba6314ae081012920c7687263
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…