proline dl-form → 2-(9-chloro-3-methyl-2,3,4,5-tetrahydroazepino[4,5-b]indol-6(1H)-yl)-N-phenylacetamide

HRID 186321Notes

Reaction equation

HRID 186321 reaction equation
[Cl:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]([nH:7][c:8]2[cH:9][cH:10]1)[CH2:11][CH2:12][N:13]([CH3:16])[CH2:14][CH2:15]3.[Cl:33][CH2:34][C:35](=[O:36])[NH:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Cu:44][I:45].[K+:30].[K+:31].[K+:32].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[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]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]([n:7]([CH2:34][C:35](=[O:36])[NH:37][c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[c:8]2[cH:9][cH:10]1)[CH2:11][CH2:12][N:13]([CH3:16])[CH2:14][CH2:15]3

Participants

8

Reactant 7

HCID 614proline dl-formHCID 813Potassium Cation3×HCID 1061PhosphateHCID 6228DimethylformamideHCID 11485ChloroacetanilideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 685585079-Chloro-3-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole

Product 1

HCID 593681572-(9-chloro-3-methyl-2,3,4,5-tetrahydroazepino[4,5-b]indol-6(1H)-yl)-N-phenylacetamide

Sources & evidence

ORD record
ord-bfee7c2c7c5e43f6905f8b2d40a57559
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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