Hydrochloric Acid → Methyl 1-[({[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)carbonyl]cyclopropanecarboxylate

HRID 1540201Notes

Reaction equation

HRID 1540201 reaction equation
[CH3:1][O:2][C:3](=[O:4])[C:5]1([C:8](=[O:9])[OH:10])[CH2:6][CH2:7]1.[CH:15]([N:16]([CH:17]([CH3:18])[CH3:19])[CH2:20][CH3:21])([CH3:22])[CH3:23].[Cl:47][CH2:48][Cl:49].[ClH:24].[NH2:25][CH2:26][c:27]1[c:28]([NH:40][CH:41]2[CH2:42][CH2:43][O:44][CH2:45][CH2:46]2)[c:29]2[c:30]([n:31][c:32]1[CH2:33][CH3:34])[n:35]([CH2:38][CH3:39])[n:36][cH:37]2.[S:11]([Cl:12])([Cl:13])=[O:14]>>[CH3:1][O:2][C:3](=[O:4])[C:5]1([C:8](=[O:10])[NH:25][CH2:26][c:27]2[c:28]([NH:40][CH:41]3[CH2:42][CH2:43][O:44][CH2:45][CH2:46]3)[c:29]3[c:30]([n:31][c:32]2[CH2:33][CH3:34])[n:35]([CH2:38][CH3:39])[n:36][cH:37]3)[CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 24386Thionyl ChlorideHCID 81531DiisopropylethylamineHCID 138618231-(Methoxycarbonyl)cyclopropane-1-carboxylic acidHCID 596832145-(Aminomethyl)-1,6-diethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine

Product 1

HCID 57819909Methyl 1-[({[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)carbonyl]cyclopropanecarboxylate

Sources & evidence

ORD record
ord-e50add3ceae240d18a6bfff902d0e2f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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