Hydrochloric Acid → Benzyl 1-[4-(3-cyclohexyl-1-methyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3-ethoxyphenyl]-4-piperidinyl(methyl)carbamate

HRID 92974Notes

Reaction equation

HRID 92974 reaction equation
[Br:1][c:2]1[cH:3][c:4]([O:25][CH2:26][CH3:27])[c:5](-[c:8]2[nH:9][c:10](=[O:24])[c:11]3[c:12]([n:13]2)[n:14]([CH3:23])[n:15][c:16]3[CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:6][cH:7]1.[CH3:29][N:30]([C:31]([O:32][CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)=[O:40])[CH:41]1[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]1.[ClH:28]>>[c:2]1([N:44]2[CH2:43][CH2:42][CH:41]([N:30]([CH3:29])[C:31]([O:32][CH2:33][c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)=[O:40])[CH2:46][CH2:45]2)[cH:3][c:4]([O:25][CH2:26][CH3:27])[c:5](-[c:8]2[nH:9][c:10](=[O:24])[c:11]3[c:12]([n:13]2)[n:14]([CH3:23])[n:15][c:16]3[CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 18677746Benzyl methyl(piperidin-4-yl)carbamateHCID 136005963HCID 136005963, compound

Product 1

HCID 136333210Benzyl 1-[4-(3-cyclohexyl-1-methyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3-ethoxyphenyl]-4-piperidinyl(methyl)carbamate

Sources & evidence

ORD record
ord-6469cb8accaf4691b47e1311b6bfa27a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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