Hydrochloric Acid → Hydrochloric Acid

HRID 311083Notes

Reaction equation

HRID 311083 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][N:16]2[CH2:17][CH2:18][N:19]([c:22]3[n:23][o:24][c:25]4[c:26]3[cH:27][cH:28][cH:29][cH:30]4)[CH2:20][CH2:21]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:31].[CH:42]([O:43][CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:39][CH2:40][Cl:41].[ClH:32].[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1>>[ClH:32].[NH2:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][N:16]2[CH2:17][CH2:18][N:19]([c:22]3[n:23][o:24][c:25]4[c:26]3[cH:27][cH:28][cH:29][cH:30]4)[CH2:20][CH2:21]2)[CH2:12][CH2:13]1

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 7914Diisopropyl EtherHCID 312751,4-DioxaneHCID 59252306trans-{4-[2-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-carbamic acid tert-butyl ester

Product 2

HCID 313Hydrochloric AcidHCID 592522934-[2-[4-(1,2-Benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine

Sources & evidence

ORD record
ord-41ae45d8e28a4f46bf546cd59c50f014
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…