Hydrochloric Acid → 2-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-7-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one

HRID 1214114Notes

Reaction equation

HRID 1214114 reaction equation
[BH4-:39].[CH3:44][OH:45].[CH:12]1([N:16]2[CH2:17][CH2:18][c:19]3[c:20]([cH:23][cH:24][c:25]([O:27][c:28]4[cH:29][cH:30][c:31]5[c:32]([n:33]4)[C:34](=[O:38])[NH:35][C:36]5=[O:37])[cH:26]3)[CH2:21][CH2:22]2)[CH2:13][CH2:14][CH2:15]1.[CH:46]([Cl:47])([Cl:48])[Cl:49].[Cl+3:1]([O-:2])([O-:3])([O-:4])[O-:5].[Cl+3:7]([O-:8])([O-:9])([O-:10])[O-:11].[ClH:41].[Mg+2:6].[Na+:40].[Na+:43].[OH-:42]>>[CH:12]1([N:16]2[CH2:17][CH2:18][c:19]3[c:20]([cH:23][cH:24][c:25]([O:27][c:28]4[cH:29][cH:30][c:31]5[c:32]([n:33]4)[CH:34]([OH:38])[NH:35][C:36]5=[O:37])[cH:26]3)[CH2:21][CH2:22]2)[CH2:13][CH2:14][CH2:15]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 887MethanolHCID 888Magnesium CationHCID 923Sodium ion2×HCID 961HydroxideHCID 6212ChloroformHCID 28123BorohydrideHCID 123351Perchlorate2×HCID 104738952-[(3-cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione

Product 1

HCID 574402952-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-7-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one

Sources & evidence

ORD record
ord-7d893cddab364308bc3f13a90229f265
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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