1,2-Dichloroethane → N-[4-[(N-methyl-N-(tetrahydropyran-4-yl)aminomethyl)]phenyl]-N-[7-(4-methylphenyl)-2,3-dihydro-1-benzooxepin-4-yl]methylamine

HRID 304698Notes

Reaction equation

HRID 304698 reaction equation
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[C:51](=[O:52])([OH:53])[O-:54].[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([cH:20]2)[CH:13]=[C:14]([CH:18]=[O:19])[CH2:15][CH2:16][O:17]3)[cH:6][cH:7]1.[CH3:21][N:22]([CH:23]1[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1)[CH2:29][c:30]1[cH:31][cH:32][c:33]([NH2:34])[cH:35][cH:36]1.[Cl:56][CH2:57][CH2:58][Cl:59].[Na+:50].[Na+:55]>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([cH:20]2)[CH:13]=[C:14]([CH2:18][NH:34][c:33]2[cH:32][cH:31][c:30]([CH2:29][N:22]([CH3:21])[CH:23]4[CH2:24][CH2:25][O:26][CH2:27][CH2:28]4)[cH:36][cH:35]2)[CH2:15][CH2:16][O:17]3)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 2724942TriacetoxyborohydrideHCID 9877845(4-Amino-benzyl)-methyl-(tetrahydro-pyran-4-yl)-amineHCID 229901807-(4-Methylphenyl)-2,3-dihydro-1-benzooxepine-4-carbaldehyde

Product 1

HCID 70024138N-[4-[(N-methyl-N-(tetrahydropyran-4-yl)aminomethyl)]phenyl]-N-[7-(4-methylphenyl)-2,3-dihydro-1-benzooxepin-4-yl]methylamine

Sources & evidence

ORD record
ord-31990d05a4964517ae604a8b5aea1258
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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