Acetic Acid → HCID 67013470, compound

HRID 2144695Notes

Reaction equation

HRID 2144695 reaction equation
[C:39]([OH:40])(=[O:41])[CH3:42].[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]3[c:10]([n:11][c:12](-[c:20]4[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]4)[c:13]2-[c:14]2[cH:15][cH:16][n:17][cH:18][cH:19]2)[n:27][n:28]([CH2:30][CH2:31][O:32][CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][O:38]2)[cH:29]3)[cH:6][cH:7]1.[Na+:52].[O-:48][C:49]([OH:50])=[O:51].[OH2:53]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]3[c:10]([n:11][c:12](-[c:20]4[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]4)[c:13]2-[c:14]2[cH:15][cH:16][n:17][cH:18][cH:19]2)[n:27][n:28]([CH2:30][CH2:31][OH:32])[cH:29]3)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 684439594,6-Bis(4-fluorophenyl)-5-(4-pyridyl)-2-[2-(tetrahydropiran-2-yloxy)ethyl]pyrazolo[3,4-b]pyridine

Product 1

HCID 67013470HCID 67013470, compound

Sources & evidence

ORD record
ord-3b934db06bd741cfaa34996553632fb1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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