Hydrochloric Acid → HCID 178489381, compound

HRID 155071Notes

Reaction equation

HRID 155071 reaction equation
[C:49](=[O:50])([OH:51])[O-:52].[CH3:54][CH2:55][OH:56].[CH:45]([Cl:46])([Cl:47])[Cl:48].[ClH:44].[Na+:53].[Na+:58].[OH-:57].[OH:1][CH:2]([c:3]1[cH:4][c:5](-[c:9]2[cH:10][c:11]3[c:12]([n:13][cH:14]2)[n:15]([CH2:26][O:27][C:28](=[O:29])[C:30]([CH3:31])([CH3:32])[CH3:33])[n:16][c:17]3-[c:18]2[c:19]([O:24][CH3:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:6][cH:7][cH:8]1)[c:34]1[n:35][cH:36][cH:37][cH:38][c:39]1[C:40]([F:41])([F:42])[F:43]>>[OH:1][CH:2]([c:3]1[cH:4][c:5](-[c:9]2[cH:10][c:11]3[c:12]([n:13][cH:14]2)[nH:15][n:16][c:17]3-[c:18]2[c:19]([O:24][CH3:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:6][cH:7][cH:8]1)[c:34]1[n:35][cH:36][cH:37][cH:38][c:39]1[C:40]([F:41])([F:42])[F:43]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 961HydroxideHCID 6212ChloroformHCID 598250482,2-Dimethyl-propionic acid 5-{3-[hydroxy-(3-trifluoromethyl-pyridin-2-yl)-methyl]-phenyl}-3-(2-methoxy-phenyl)-pyrazolo[3,4-b]pyridin-1-ylmethyl ester

Product 1

HCID 178489381HCID 178489381, compound

Sources & evidence

ORD record
ord-feb07414219d4bdaa7840acb41842011
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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