Hydrochloric Acid → 2-[1-[5-(1-Adamantylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-3-yl]acetic acid

HRID 112737Notes

Reaction equation

HRID 112737 reaction equation
[C:3]12([NH:13][C:14](=[O:15])[c:16]3[cH:17][cH:18][c:19]([N:26]4[CH2:27][CH:28]([CH2:32][C:33](=[O:34])[O:35][CH3:36])[CH2:29][CH2:30][CH2:31]4)[n:20][c:21]3[S:22][CH2:23][CH2:24][CH3:25])[CH2:4][CH:5]3[CH2:6][CH:7]([CH2:8][CH:9]([CH2:10]1)[CH2:11]3)[CH2:12]2.[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:39][OH:40].[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[ClH:37].[Li+:1].[OH-:2].[OH2:38]>>[C:3]12([NH:13][C:14](=[O:15])[c:16]3[cH:17][cH:18][c:19]([N:26]4[CH2:27][CH:28]([CH2:32][C:33](=[O:34])[OH:35])[CH2:29][CH2:30][CH2:31]4)[n:20][c:21]3[S:22][CH2:23][CH2:24][CH3:25])[CH2:4][CH:5]3[CH2:6][CH:7]([CH2:8][CH:9]([CH2:10]1)[CH2:11]3)[CH2:12]2

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 178460797HCID 178460797, compound

Product 1

HCID 672475002-[1-[5-(1-Adamantylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-3-yl]acetic acid

Sources & evidence

ORD record
ord-961c055371744beda48b05cadf27410d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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