Ethanol → racemic-Tasocitinib

HRID 689600Notes

Reaction equation

HRID 689600 reaction equation
[CH3:1][N:2]([c:3]1[c:4]2[c:5]([n:6][cH:7][n:8]1)[nH:9][cH:10][cH:11]2)[CH:12]1[CH2:13][NH:14][CH2:15][CH2:16][CH:17]1[CH3:18].[CH3:32][CH2:33][OH:34].[O:19]=[C:20]1[CH2:21][CH2:22][C:23](=[O:24])[N:25]1[O:26][C:27]([CH2:28][C:29]#[N:30])=[O:31]>>[CH3:1][N:2]([c:3]1[c:4]2[c:5]([n:6][cH:7][n:8]1)[nH:9][cH:10][cH:11]2)[CH:12]1[CH2:13][N:14]([C:27](=[O:26])[CH2:28][C:29]#[N:30])[CH2:15][CH2:16][CH:17]1[CH3:18]

Participants

4

Reactant 3

HCID 702EthanolHCID 12084830N-Methyl-N-[(3S,4S)-4-methyl-3-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amineHCID 534158962,5-Dioxopyrrolidin-1-yl 2-cyanoacetate

Product 1

HCID 9818231racemic-Tasocitinib

Sources & evidence

ORD record
ord-3abf5156933040e8a9a9e0eba1e4835f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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