Hydrochloric Acid → Tert-butyl 4-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]piperidine-1-carboxylate

HRID 1125742Notes

Reaction equation

HRID 1125742 reaction equation
[C:48](=[O:49])([O-:50])[O-:51].[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH3:6])[C:7]1=[O:8].[CH3:56][CH2:57][O:58][C:59]([CH3:60])=[O:61].[CH3:9][S:10]([O:11][CH2:14][CH2:15][CH2:16][CH:17]1[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]1)(=[O:12])=[O:13].[ClH:30].[ClH:31].[Cs+:52].[Cs+:53].[I-:55].[N:32]1([c:38]2[n:39][cH:40][cH:41][c:42]3[cH:43][cH:44][cH:45][cH:46][c:47]23)[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]1.[Na+:54]>>[CH2:14]([CH2:15][CH2:16][CH:17]1[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]1)[N:35]1[CH2:34][CH2:33][N:32]([c:38]2[n:39][cH:40][cH:41][c:42]3[cH:43][cH:44][cH:45][cH:46][c:47]23)[CH2:37][CH2:36]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 923Sodium ionHCID 66611,3-Dimethyl-2-imidazolidinoneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 30165Iodide IonHCID 104967Cesium cation2×HCID 158874361-(Piperazin-1-yl)isoquinolineHCID 21190098Tert-butyl 4-(3-((methylsulfonyl)oxy)propyl)piperidine-1-carboxylate

Product 1

HCID 57507764Tert-butyl 4-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]piperidine-1-carboxylate

Sources & evidence

ORD record
ord-85f5fbe7e7b44661bbd311b4d325afa3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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