1,2-Dichloroethane → N-(1-(cycloocten-1-yl)methylpiperidin-4-yl)-7-(4-methylphenyl)-2,3-dihydro-1-benzooxepine-4-carboxamide

HRID 2127227Notes

Reaction equation

HRID 2127227 reaction equation
[C:28]1([CH:36]=[O:37])=[CH:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1.[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[Cl:54][CH2:55][CH2:56][Cl:57].[NH:1]1[CH2:2][CH2:3][CH:4]([NH:7][C:8](=[O:9])[C:10]2=[CH:16][c:15]3[c:14]([cH:20][cH:19][c:18](-[c:21]4[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]4)[cH:17]3)[O:13][CH2:12][CH2:11]2)[CH2:5][CH2:6]1.[Na+:51].[Na+:53].[OH-:52]>>[N:1]1([CH2:36][C:28]2=[CH:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[CH2:2][CH2:3][CH:4]([NH:7][C:8](=[O:9])[C:10]2=[CH:16][c:15]3[c:14]([cH:20][cH:19][c:18](-[c:21]4[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]4)[cH:17]3)[O:13][CH2:12][CH2:11]2)[CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 923Sodium ion2×HCID 961HydroxideHCID 2724942TriacetoxyborohydrideHCID 22990182N-(4-piperidinyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzooxepine-4-carboxamideHCID 53866598Cyclooct-1-ene-1-carbaldehyde

Product 1

HCID 70025289N-(1-(cycloocten-1-yl)methylpiperidin-4-yl)-7-(4-methylphenyl)-2,3-dihydro-1-benzooxepine-4-carboxamide

Sources & evidence

ORD record
ord-75f0fd1e078542bbab96ba743b5fb98a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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