Hydrochloric Acid → HCID 178526547, compound

HRID 1237612Notes

Reaction equation

HRID 1237612 reaction equation
[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][CH2:41][OH:42].[CH:26]12[O:27][CH2:28][CH:29]([NH:30][CH2:31]1)[CH2:32]2.[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6](-[c:8]3[cH:9][cH:10][c:11]([N+:14](=[O:15])[O-:16])[cH:12][cH:13]3)[n:7]1)[n:17]([CH2:20][C:21]([F:22])([F:23])[F:24])[n:18][cH:19]2.[ClH:25]>>[c:2]1([N:30]2[CH:29]3[CH2:28][O:27][CH:26]([CH2:31]2)[CH2:32]3)[c:3]2[c:4]([n:5][c:6](-[c:8]3[cH:9][cH:10][c:11]([N+:14](=[O:15])[O-:16])[cH:12][cH:13]3)[n:7]1)[n:17]([CH2:20][C:21]([F:22])([F:23])[F:24])[n:18][cH:19]2

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 702EthanolHCID 8471TriethylamineHCID 36145512-Oxa-5-azabicyclo(2.2.1)heptaneHCID 576542484-Chloro-6-(4-nitrophenyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-D]pyrimidine

Product 1

HCID 178526547HCID 178526547, compound

Sources & evidence

ORD record
ord-5ede34ba1ccc46d2b9cbe5f52fd8aeb3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…