Ethanol → HCID 66589070, compound

HRID 151815Notes

Reaction equation

HRID 151815 reaction equation
[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][CH2:49][OH:50].[CH:25]12[CH2:26][N:27]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:28][CH:29]([CH2:30][NH:31][CH2:32]1)[O:33]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>>[c:2]1([N:31]2[CH2:30][CH:29]3[CH2:28][N:27]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:26][CH:25]([CH2:32]2)[O:33]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

5

Reactant 4

HCID 702EthanolHCID 8471TriethylamineHCID 185404123-Boc-9-oxa-3,7-diazabicyclo[3.3.1]nonaneHCID 576542484-Chloro-6-(4-nitrophenyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-D]pyrimidine

Product 1

HCID 66589070HCID 66589070, compound

Sources & evidence

ORD record
ord-8e1db53febf04e50b9030f80cef6fc05
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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