Dichloromethane → 2-[4-Chloro-2-(piperazine-1-carbonyl)phenoxy]-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone

HRID 197272Notes

Reaction equation

HRID 197272 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([C:14]([c:15]2[c:16]([O:22][CH2:23][C:24](=[O:25])[N:26]3[CH:27]([CH3:41])[CH2:28][N:29]([CH2:33][c:34]4[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]4)[CH:30]([CH3:32])[CH2:31]3)[cH:17][cH:18][c:19]([Cl:21])[cH:20]2)=[O:42])[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:50][CH:51]([Cl:52])[CH3:53].[Cl:54][CH2:55][Cl:56].[OH:43][C:44]([C:45]([F:46])([F:47])[F:48])=[O:49]>>[NH:8]1[CH2:9][CH2:10][N:11]([C:14]([c:15]2[c:16]([O:22][CH2:23][C:24](=[O:25])[N:26]3[CH:27]([CH3:41])[CH2:28][N:29]([CH2:33][c:34]4[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]4)[CH:30]([CH3:32])[CH2:31]3)[cH:17][cH:18][c:19]([Cl:21])[cH:20]2)=[O:42])[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 63651,1-DichloroethaneHCID 6422Trifluoroacetic acidHCID 178430723HCID 178430723, compound

Product 1

HCID 187681082-[4-Chloro-2-(piperazine-1-carbonyl)phenoxy]-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone

Sources & evidence

ORD record
ord-d72054118cf94af899b1fb41a4ca3f6d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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