Hydrochloric Acid → N-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-4-methylsulfanyl-2-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]butanamide

HRID 2332910Notes

Reaction equation

HRID 2332910 reaction equation
[CH3:1][C:2]1([CH3:35])[O:3][CH2:4][CH:5]([c:7]2[n:8][cH:9][c:10]([NH:13][C:14]([CH:15]([CH2:16][CH2:17][S:18][CH3:19])[N:20]3[C:21](=[O:33])[c:22]4[cH:23][cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[c:27]4[CH2:28]3)=[O:34])[n:11][cH:12]2)[O:6]1.[ClH:36].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1>>[OH:3][CH2:4][CH:5]([OH:6])[c:7]1[n:8][cH:9][c:10]([NH:13][C:14]([CH:15]([CH2:16][CH2:17][S:18][CH3:19])[N:20]2[C:21](=[O:33])[c:22]3[cH:23][cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[c:27]3[CH2:28]2)=[O:34])[n:11][cH:12]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 70945446N-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrazin-2-yl]-4-methylsulfanyl-2-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]butanamide

Product 1

HCID 77895925N-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-4-methylsulfanyl-2-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]butanamide

Sources & evidence

ORD record
ord-690e330ebc924df5a1afc9fd6f7697f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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