1-(3-Methylphenyl)butane-1,3-dione → HCID 178450138, compound

HRID 194859Notes

Reaction equation

HRID 194859 reaction equation
[CH3:28][c:29]1[cH:30][c:31]([C:35]([CH2:36][C:37]([CH3:38])=[O:39])=[O:40])[cH:32][cH:33][cH:34]1.[NH2:1][CH:2]([C:3](=[O:4])[OH:5])[CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH2:15][c:16]2[n:17][c:18](-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[o:19][c:20]2[CH3:21])[cH:11][cH:12]1>>[NH:1]([CH:2]([C:3](=[O:4])[OH:5])[CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH2:15][c:16]2[n:17][c:18](-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[o:19][c:20]2[CH3:21])[cH:11][cH:12]1)[C:37](=[CH:36][C:35]([c:31]1[cH:30][c:29]([CH3:28])[cH:34][cH:33][cH:32]1)=[O:40])[CH3:38]

Participants

3

Reactant 2

HCID 142684421-(3-Methylphenyl)butane-1,3-dioneHCID 183763042-Amino-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid

Product 1

HCID 178450138HCID 178450138, compound

Sources & evidence

ORD record
ord-5c87666b4a4c4667aaec610dc6f24400
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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