Ammonia → 1-[1-(4-Chlorophenyl)cyclobutyl]-3-ethyl-1-iminopentan-3-ol

HRID 180279Notes

Reaction equation

HRID 180279 reaction equation
[BH4-:1].[CH3:26][O:27][CH2:28][CH2:29][O:30][CH3:31].[Cl-:32].[Cl-:34].[Cl-:35].[Cl-:36].[Cl:3][c:4]1[cH:5][cH:6][c:7]([C:10]2([C:14]([CH2:15][C:16]([CH2:17][CH3:18])([OH:19])[CH2:20][CH3:21])=[N:22][OH:23])[CH2:11][CH2:12][CH2:13]2)[cH:8][cH:9]1.[NH3:25].[Na+:2].[OH2:24].[Ti+4:33]>>[Cl:3][c:4]1[cH:5][cH:6][c:7]([C:10]2([C:14]([CH2:15][C:16]([CH2:17][CH3:18])([OH:19])[CH2:20][CH3:21])=[NH:22])[CH2:11][CH2:12][CH2:13]2)[cH:8][cH:9]1

Participants

9

Reactant 8

HCID 222AmmoniaHCID 312Chloride4×HCID 923Sodium ionHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 28123BorohydrideHCID 114942Titanium cation (4+)HCID 867439391-[1-(4-Chlorophenyl)cyclobutyl]-3-ethyl-3-hydroxypentan-1-one oxime

Product 1

HCID 198237421-[1-(4-Chlorophenyl)cyclobutyl]-3-ethyl-1-iminopentan-3-ol

Sources & evidence

ORD record
ord-3f5a975655a04b57807d896a5fb37059
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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