Dichloromethane → N-(3-hydroxy-3-methylbutyl)-N-{[2,4-dichlorophenyl]-methyl}-azetidine-3-yl-methylamine

HRID 1556561Notes

Reaction equation

HRID 1556561 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH:10]([CH2:12][N:13]([CH2:14][CH2:15][C:16]([CH3:17])([CH3:18])[OH:19])[CH2:20][c:21]2[c:22]([Cl:28])[cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[CH2:11]1)([CH3:5])([CH3:6])[CH3:7].[CH3:29][O:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[Cl:44][CH2:45][Cl:46].[OH:37][C:38]([C:39]([F:40])([F:41])[F:42])=[O:43]>>[NH:8]1[CH2:9][CH:10]([CH2:12][N:13]([CH2:14][CH2:15][C:16]([CH3:17])([CH3:18])[OH:19])[CH2:20][c:21]2[c:22]([Cl:28])[cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[CH2:11]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 7519AnisoleHCID 690038323-{[(2,4-Dichlorobenzyl)-(3-hydroxy-3-methyl-butyl)-amino]-methyl}-azetidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 57937779N-(3-hydroxy-3-methylbutyl)-N-{[2,4-dichlorophenyl]-methyl}-azetidine-3-yl-methylamine

Sources & evidence

ORD record
ord-150b42189fe2493bb0682ef144621bf1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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