Ethanol → Phosphoric Acid

HRID 288286Notes

Reaction equation

HRID 288286 reaction equation
[CH3:32][C:33]#[N:34].[CH3:35][CH2:36][OH:37].[P:27]([OH:28])([OH:29])([OH:30])=[O:31].[n:1]1[cH:2][n:3][c:4](-[c:10]2[cH:11][n:12][n:13]([C:15]3([CH2:24][C:25]#[N:26])[CH2:16][N:17]([S:19](=[O:20])(=[O:21])[CH2:22][CH3:23])[CH2:18]3)[cH:14]2)[c:5]2[c:6]1[nH:7][cH:8][cH:9]2>>[P:27](=[O:28])([OH:29])([OH:30])[OH:31].[n:1]1[cH:2][n:3][c:4](-[c:10]2[cH:11][n:12][n:13]([C:15]3([CH2:24][C:25]#[N:26])[CH2:16][N:17]([S:19](=[O:20])(=[O:21])[CH2:22][CH3:23])[CH2:18]3)[cH:14]2)[c:5]2[c:6]1[nH:7][cH:8][cH:9]2

Participants

6

Reactant 4

HCID 702EthanolHCID 1004Phosphoric AcidHCID 6342AcetonitrileHCID 44205240Baricitinib

Product 2

HCID 1004Phosphoric AcidHCID 44205240Baricitinib

Sources & evidence

ORD record
ord-6890256a5bb949df9082619668c535cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…