Hydrochloric Acid → Hydrochloric Acid

HRID 1114603Notes

Reaction equation

HRID 1114603 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][O:8][CH2:9][c:10]1[c:11]([O:17][CH2:18][C:19](=[O:20])[N:21]2[CH:22]([CH3:36])[CH2:23][N:24]([CH2:28][c:29]3[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]3)[CH:25]([CH3:27])[CH2:26]2)[cH:12][cH:13][c:14]([Cl:16])[cH:15]1)=[O:37].[Cl:46][CH2:47][Cl:48].[ClH:45].[OH:38][C:39]([C:40]([F:41])([F:42])[F:43])=[O:44]>>[ClH:45].[O:5]=[C:6]([CH2:7][O:8][CH2:9][c:10]1[c:11]([O:17][CH2:18][C:19](=[O:20])[N:21]2[CH:22]([CH3:36])[CH2:23][N:24]([CH2:28][c:29]3[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]3)[CH:25]([CH3:27])[CH2:26]2)[cH:12][cH:13][c:14]([Cl:16])[cH:15]1)[OH:37]

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 178430722tert-butyl 2-[[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]methoxy]acetate

Product 2

HCID 313Hydrochloric AcidHCID 219732952-[[5-Chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]methoxy]acetic acid

Sources & evidence

ORD record
ord-230eec74ead74da2aaec85327b4762a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…