Acetic Acid → Adapalene

HRID 1537078Notes

Reaction equation

HRID 1537078 reaction equation
[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:19]2[cH:20][cH:21][c:22]3[cH:23][c:24]([C:29]([OH:30])=[O:31])[cH:25][cH:26][c:27]3[cH:28]2)[cH:7][c:8]1[C:9]12[CH2:10][CH:11]3[CH2:12][CH:13]([CH2:14][CH:15]([CH2:16]3)[CH2:17]1)[CH2:18]2.[CH3:39][C:40](=[O:41])[OH:42].[Na:32].[OH2:38]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:19]2[cH:20][cH:21][c:22]3[cH:23][c:24]([C:29](=[O:30])[OH:31])[cH:25][cH:26][c:27]3[cH:28]2)[cH:7][c:8]1[C:9]12[CH2:10][CH:11]3[CH2:12][CH:13]([CH2:14][CH:15]([CH2:16]3)[CH2:17]1)[CH2:18]2

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 60164AdapaleneHCID 5360545Sodium

Product 1

HCID 60164Adapalene

Sources & evidence

ORD record
ord-685f36422fff4e9e922930b88e5e6ef4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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