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

HRID 303036Notes

Reaction equation

HRID 303036 reaction equation
[C:50]([O-:51])(=[O:52])[C:53]([O-:54])=[O:55].[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])[NH:37][CH:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]1.[Cu:56][I:57].[K+:30].[K+:31].[K+:32].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH:17][C:18]([CH:19]1[NH:20][CH2:21][CH2:22][CH2:23]1)=[O:24].[OH:44][C:45]([C:46](=[O:47])[OH:48])=[O:49].[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])[NH:37][CH:38]3[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]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

10

Reactant 9

HCID 614proline dl-formHCID 813Potassium Cation3×HCID 971Oxalic AcidHCID 1061PhosphateHCID 6228DimethylformamideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 71081OxalateHCID 2223652-Chloro-N-cyclohexylacetamideHCID 685600921,2,3,4,5,6-Hexahydro-3,9-dimethylazepino[4,5-b]indole

Product 1

HCID 59368307N-cyclohexyl-2-(3,9-dimethyl-2,3,4,5-tetrahydroazepino[4,5-b]indol-6(1H)-yl)acetamide

Sources & evidence

ORD record
ord-00fb65cd80864e6888ad6e95f18d56b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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