Acetic Acid → 4-(4-{2-[2-hydroxy-2-(6-hydroxy-3-oxo-3,4-dihydro-2H-benzo[1,4]oxaazin-8-yl)-ethylamino]-2-methylpropyl}phenoxy)butyric acid

HRID 2310490Notes

Reaction equation

HRID 2310490 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([CH:20]([CH2:21][NH:22][C:23]([CH2:24][c:25]2[cH:26][cH:27][c:28]([O:29][CH2:30][CH2:31][CH2:32][C:33](=[O:34])[OH:35])[cH:36][cH:37]2)([CH3:38])[CH3:39])[OH:40])[c:12]2[c:13]([cH:19]1)[NH:14][C:15](=[O:18])[CH2:16][O:17]2.[CH3:41][C:42](=[O:43])[OH:44].[CH3:45][OH:46]>>[OH:8][c:9]1[cH:10][c:11]([CH:20]([CH2:21][NH:22][C:23]([CH2:24][c:25]2[cH:26][cH:27][c:28]([O:29][CH2:30][CH2:31][CH2:32][C:33](=[O:34])[OH:35])[cH:36][cH:37]2)([CH3:38])[CH3:39])[OH:40])[c:12]2[c:13]([cH:19]1)[NH:14][C:15](=[O:18])[CH2:16][O:17]2

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 887MethanolHCID 22063479HCID 22063479, compound

Product 1

HCID 116267174-(4-{2-[2-hydroxy-2-(6-hydroxy-3-oxo-3,4-dihydro-2H-benzo[1,4]oxaazin-8-yl)-ethylamino]-2-methylpropyl}phenoxy)butyric acid

Sources & evidence

ORD record
ord-f3fa864689414de9bb67c0383c8f3e35
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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