Water → N-[2,2-difluoro-1-(4-fluorophenyl)-2-pyridin-2-ylethyl]-3,3-dimethyl-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)butan-1-amine

HRID 169065Notes

Reaction equation

HRID 169065 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([F:8])[cH:6][cH:7]1.[CH3:9][CH2:10][CH2:11][CH2:12][Li:13].[F:14][C:15]([CH:16]=[N:17][CH:18]([CH2:19][C:20]([CH3:21])([CH3:22])[CH3:23])[C:24]12[O:25][CH2:26][C:27]([CH3:32])([CH2:28][O:29]1)[CH2:30][O:31]2)([c:33]1[n:34][cH:35][cH:36][cH:37][cH:38]1)[F:39].[OH2:40]>>[c:2]1([CH:16]([C:15]([F:14])([c:33]2[n:34][cH:35][cH:36][cH:37][cH:38]2)[F:39])[NH:17][CH:18]([CH2:19][C:20]([CH3:21])([CH3:22])[CH3:23])[C:24]23[O:25][CH2:26][C:27]([CH3:32])([CH2:28][O:29]2)[CH2:30][O:31]3)[cH:3][cH:4][c:5]([F:8])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 962WaterHCID 99931-Bromo-4-fluorobenzeneHCID 67391426N-[3,3-dimethyl-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)butyl]-2,2-difluoro-2-pyridin-2-ylethanimineHCID 178418339Butyllithium

Product 1

HCID 67391812N-[2,2-difluoro-1-(4-fluorophenyl)-2-pyridin-2-ylethyl]-3,3-dimethyl-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)butan-1-amine

Sources & evidence

ORD record
ord-059538b9bec543e4b41899bfe67819e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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