Benzene → HCID 54092445, compound

HRID 297672Notes

Reaction equation

HRID 297672 reaction equation
[C:1](=[O:2])([O:3][CH3:4])[CH:5]=[CH:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][C:14]([CH3:15])=[O:16])[cH:11][cH:12]1.[OH2:27].[OH:17][CH:18]([CH2:19][NH2:20])[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[cH:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[C:1](=[O:2])([O:3][CH3:4])[CH:5]=[CH:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][CH:14]([CH3:15])[NH:20][CH2:19][CH:18]([OH:17])[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:11][cH:12]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 962WaterHCID 1000PhenylethanolamineHCID 53752537Methyl 3-[4-(2-oxopropyl)phenyl]prop-2-enoate

Product 1

HCID 54092445HCID 54092445, compound

Sources & evidence

ORD record
ord-8aeae7aa9eb646f2a8c132fe39449fe6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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