Hydrochloric Acid → 4-[3-(4,4-Dimethylcyclohexyl)-4-piperazin-1-ylphenyl]-2,6-dimethylmorpholine

HRID 287392Notes

Reaction equation

HRID 287392 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([CH:28]3[CH2:29][CH2:30][C:31]([CH3:34])([CH3:35])[CH2:32][CH2:33]3)[cH:16][c:17]([N:20]3[CH2:21][CH:22]([CH3:27])[O:23][CH:24]([CH3:26])[CH2:25]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[Cl:50][CH2:51][Cl:52].[ClH:42].[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[OH2:49]>>[NH:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([CH:28]3[CH2:29][CH2:30][C:31]([CH3:34])([CH3:35])[CH2:32][CH2:33]3)[cH:16][c:17]([N:20]3[CH2:21][CH:22]([CH3:27])[O:23][CH:24]([CH3:26])[CH2:25]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 962WaterHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 69218967Tert-butyl 4-[2-(4,4-dimethylcyclohexyl)-4-(2,6-dimethylmorpholin-4-yl)phenyl]piperazine-1-carboxylate

Product 1

HCID 231423124-[3-(4,4-Dimethylcyclohexyl)-4-piperazin-1-ylphenyl]-2,6-dimethylmorpholine

Sources & evidence

ORD record
ord-231d9bc0b7f84d9e962cad356d98d45d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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