Phenylacetic Acid → Phenylacetic Acid

HRID 213804Notes

Reaction equation

HRID 213804 reaction equation
[C:21]([O:22][CH3:23])(=[O:24])[CH2:25][C:26]([CH3:27])=[O:28].[CH3:29][NH:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH:38]([OH:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[c:3]([Cl:4])[cH:5][cH:6][cH:7][c:8]1[CH:9]=[O:10].[OH:11][C:12](=[O:13])[CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[CH3:29][NH:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[O:11]=[C:12]([OH:13])[CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1

Participants

7

Reactant 5

HCID 999Phenylacetic AcidHCID 3776IsopropanolHCID 7669N-MethylbenzylamineHCID 7757Methyl acetoacetateHCID 357452,3-Dichlorobenzaldehyde

Product 2

HCID 999Phenylacetic AcidHCID 7669N-Methylbenzylamine

Sources & evidence

ORD record
ord-ccd99fdef2d5438dba24fbfb2dfa8f0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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