Hydrochloric Acid → tert-butyl [(trans-4-{6-[(2'-cyanobiphenyl-4-yl)methyl]-5-oxo-7-propylpyrazolo[1,5-a]pyrimidin-4(5H)-yl}cyclohexyl)oxy]acetate

HRID 1211098Notes

Reaction equation

HRID 1211098 reaction equation
[Br:38][CH2:39][C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46].[CH2:53]([N+:54]([CH2:55][CH2:56][CH2:57][CH3:58])([CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH2:65][CH3:66])[CH2:67][CH2:68][CH3:69].[CH3:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[ClH:47].[Na+:37].[OH-:36].[OH:1][CH:2]1[CH2:3][CH2:4][CH:5]([n:8]2[c:9]3[n:10]([c:11]([CH2:30][CH2:31][CH3:32])[c:12]([CH2:15][c:16]4[cH:17][cH:18][c:19](-[c:22]5[c:23]([C:28]#[N:29])[cH:24][cH:25][cH:26][cH:27]5)[cH:20][cH:21]4)[c:13]2=[O:14])[n:33][cH:34][cH:35]3)[CH2:6][CH2:7]1.[S:48]([O-:49])([OH:50])(=[O:51])=[O:52]>>[O:1]([CH:2]1[CH2:3][CH2:4][CH:5]([n:8]2[c:9]3[n:10]([c:11]([CH2:30][CH2:31][CH3:32])[c:12]([CH2:15][c:16]4[cH:17][cH:18][c:19](-[c:22]5[c:23]([C:28]#[N:29])[cH:24][cH:25][cH:26][cH:27]5)[cH:20][cH:21]4)[c:13]2=[O:14])[n:33][cH:34][cH:35]3)[CH2:6][CH2:7]1)[CH2:39][C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 1140TolueneHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 61778Sulfate, hydrogenHCID 79177tert-Butyl bromoacetateHCID 670098734'-{[4-(trans-4-Hydroxycyclohexyl)-5-oxo-7-propyl-4,5-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile

Product 1

HCID 86644040tert-butyl [(trans-4-{6-[(2'-cyanobiphenyl-4-yl)methyl]-5-oxo-7-propylpyrazolo[1,5-a]pyrimidin-4(5H)-yl}cyclohexyl)oxy]acetate

Sources & evidence

ORD record
ord-1c1511ee53aa44ff8f148f8f8cfb6f29
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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