proline dl-form → 2-(3,9-dimethyl-2,3,4,5-tetrahydroazepino[4,5-b]indol-6(1H)-yl)-1-(piperidin-1-yl)ethanone

HRID 281253

Reaction equation

HRID 281253 reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][c:5]2[nH:6][c:7]3[cH:8][cH:9][c:10]([CH3:16])[cH:11][c:12]3[c:13]2[CH2:14][CH2:15]1.[Cl:33][CH2:34][C:35](=[O:36])[N:37]1[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[Cu:43][I:44].[K+:30].[K+:31].[K+:32].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH:17][C:18]([CH:19]1[NH:20][CH2:21][CH2:22][CH2:23]1)=[O:24].[P:25]([O-:26])([O-:27])([O-:28])=[O:29]>>[CH3:1][N:2]1[CH2:3][CH2:4][c:5]2[n:6]([CH2:34][C:35](=[O:36])[N:37]3[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]3)[c:7]3[cH:8][cH:9][c:10]([CH3:16])[cH:11][c:12]3[c:13]2[CH2:14][CH2:15]1

Participants

8

Reactant 7

HCID 614proline dl-formHCID 813Potassium Cation3×HCID 1061PhosphateHCID 6228DimethylformamideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 2223122-Chloro-1-piperidine-1-yl-ethanoneHCID 685600921,2,3,4,5,6-Hexahydro-3,9-dimethylazepino[4,5-b]indole

Product 1

HCID 593682812-(3,9-dimethyl-2,3,4,5-tetrahydroazepino[4,5-b]indol-6(1H)-yl)-1-(piperidin-1-yl)ethanone

Sources & evidence

ORD record
ord-dc587787c830461eaca7cae78106cad1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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