Methanol → Ivabradine, (+-)-

HRID 2335155Notes

Reaction equation

[BH4-:36].[BH4-:37].[BH4-:38].[BH4-:39].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:8]([cH:9][c:10]1[O:11][CH3:12])[CH:7]([CH2:13][N:14]([C:15]([CH2:16][CH2:17][N:18]1[CH2:19][CH2:20][c:21]3[c:22]([cH:26][c:27]([O:32][CH3:33])[c:28]([O:30][CH3:31])[cH:29]3)[CH2:23][C:24]1=[O:25])=[NH:34])[CH3:35])[CH2:6]2.[CH3:49][OH:50].[Cl:46][CH2:47][Cl:48].[Na+:40].[Na+:41].[Na+:42].[Na+:43].[Na+:45].[OH-:44]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:8]([cH:9][c:10]1[O:11][CH3:12])[CH:7]([CH2:13][N:14]([CH2:15][CH2:16][CH2:17][N:18]1[CH2:19][CH2:20][c:21]3[c:22]([cH:26][c:27]([O:32][CH3:33])[c:28]([O:30][CH3:31])[cH:29]3)[CH2:23][C:24]1=[O:25])[CH3:35])[CH2:6]2

Participants

Reactant 6

HCID 887Methanol

HCID 923Sodium ion5×

HCID 961Hydroxide

HCID 6344Dichloromethane

HCID 28123Borohydride4×

HCID 67533445N-[(3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-3-(7,8-dimethoxy-4-oxo-2,5-dihydro-1H-3-benzazepin-3-yl)-N-methylpropanimidamide

Product 1

HCID 6426711Ivabradine, (+-)-

Sources & evidence

ORD record: ord-7f6c2492bb71478d9db6c7186604706d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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