Hydrochloric Acid → Hydrochloric Acid

HRID 321858Notes

Reaction equation

HRID 321858 reaction equation
[C:1]([O:2][C:3](=[O:4])[n:8]1[n:9][c:10]([NH:29][CH2:30][CH3:31])[c:11]2[cH:12][c:13]([CH:17]3[C:18]([C:27]#[N:28])=[C:19]([CH3:26])[NH:20][C:21]([CH3:25])=[C:22]3[C:23]#[N:24])[cH:14][cH:15][c:16]12)([CH3:5])([CH3:6])[CH3:7].[ClH:32].[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1>>[ClH:32].[nH:8]1[n:9][c:10]([NH:29][CH2:30][CH3:31])[c:11]2[cH:12][c:13]([CH:17]3[C:18]([C:27]#[N:28])=[C:19]([CH3:26])[NH:20][C:21]([CH3:25])=[C:22]3[C:23]#[N:24])[cH:14][cH:15][c:16]12

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 690460615-(3,5-dicyano-1,4-dihydro-2,6-dimethyl-4-pyridinyl)-3-(ethylamino)-1H-indazole-1-carboxylic acid tert-butyl ester

Product 2

HCID 313Hydrochloric AcidHCID 249605644-[3-(ethylamino)-1H-indazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

Sources & evidence

ORD record
ord-fed8426c1f594b6da8b03a253c965aed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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