proline dl-form → 9-Chloro-6-[2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indole

HRID 690674Notes

Reaction equation

HRID 690674 reaction equation
[Br:33][CH:34]=[C:35]([CH3:36])[c:37]1[cH:38][c:39]([F:45])[c:40]([O:43][CH3:44])[cH:41][cH:42]1.[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.[Cu:51][I:52].[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]([CH:34]=[C:35]([CH3:36])[c:37]4[cH:38][c:39]([F:45])[c:40]([O:43][CH3:44])[cH:41][cH:42]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 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]indoleHCID 866355054-(1-Bromoprop-1-en-2-yl)-2-fluoro-1-methoxybenzene

Product 1

HCID 685635319-Chloro-6-[2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indole

Sources & evidence

ORD record
ord-0ed243bb83ed49818b6ec2b869becd6a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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