Hydrochloric Acid → Tamibarotene

HRID 1218816Notes

Reaction equation

HRID 1218816 reaction equation
[CH3:1][C:2]1([CH3:27])[c:3]2[cH:4][cH:5][c:6]([NH:14][C:15](=[O:16])[c:17]3[cH:18][cH:19][c:20]([C:21](=[O:22])[O:23][CH3:24])[cH:25][cH:26]3)[cH:7][c:8]2[C:9]([CH3:12])([CH3:13])[CH2:10][CH2:11]1.[CH3:31][OH:32].[ClH:30].[Na+:29].[OH-:28].[OH2:33]>>[CH3:1][C:2]1([CH3:27])[c:3]2[cH:4][cH:5][c:6]([NH:14][C:15](=[O:16])[c:17]3[cH:18][cH:19][c:20]([C:21](=[O:22])[OH:23])[cH:25][cH:26]3)[cH:7][c:8]2[C:9]([CH3:12])([CH3:13])[CH2:10][CH2:11]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 13632689Methyl 4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-YL)carbamoyl)benzoate

Product 1

HCID 108143Tamibarotene

Sources & evidence

ORD record
ord-6f5baefb94d24d61bdd8722d2afd8ab5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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