Benzene → N-[2-(4-(3-Carbomethoxyprop-2-eneoxy)phenyl)-1-methylethyl]-2-hydroxy-2-(4-chlorophenyl) ethanamine

HRID 686566

Reaction equation

HRID 686566 reaction equation
[C:1](=[O:2])([O:3][CH3:4])[CH:5]=[CH:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][C:16]([CH3:17])=[O:18])[cH:13][cH:14]1.[OH2:30].[OH:19][CH:20]([CH2:21][NH2:22])[c:23]1[cH:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]1.[cH:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[C:1](=[O:2])([O:3][CH3:4])[CH:5]=[CH:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH:16]([CH3:17])[NH:22][CH2:21][CH:20]([OH:19])[c:23]2[cH:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]2)[cH:13][cH:14]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 962WaterHCID 4124342-Amino-1-(4-chlorophenyl)ethan-1-olHCID 538253751-[4-(3-Carbomethoxyprop-2-eneoxy)phenyl]propan-2-one

Product 1

HCID 54415637N-[2-(4-(3-Carbomethoxyprop-2-eneoxy)phenyl)-1-methylethyl]-2-hydroxy-2-(4-chlorophenyl) ethanamine

Sources & evidence

ORD record
ord-e11640d1879043be9ff5328fe040a9af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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