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

HRID 2128147Notes

Reaction equation

HRID 2128147 reaction equation
[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[Cl:51][CH2:52][CH2:53][Cl:54].[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+:48].[Na+:50].[O:28]1[CH2:29][CH2:30][C:31](=[O:34])[CH2:32][CH2:33]1.[OH-:49]>>[N:1]1([CH:31]2[CH2:30][CH2:29][O:28][CH2:33][CH2:32]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 121599Tetrahydro-4H-pyran-4-oneHCID 2724942TriacetoxyborohydrideHCID 22990182N-(4-piperidinyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzooxepine-4-carboxamide

Product 1

HCID 9889788N-(1-(tetrahydropyran-4-yl)piperidin-4-yl)-7-(4-methylphenyl)-2,3-dihydro-1-benzooxepine-4-carboxamide

Sources & evidence

ORD record
ord-7ce5201d0a61423f914ae50e5f4b921e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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