Ethanol → [3S-[2(2S*,3R),3a,4ab,8ab]]-2-(3-Amino-2-hydroxy-4-phenylbutyl)-N-(1,1-dimethylethyl)decahydro-3-Isoquinolinecarboxamide

HRID 101104Notes

Reaction equation

HRID 101104 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6](=[O:7])[CH:8]1[N:9]([CH2:18][CH:19]([CH:20]([CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[N:28]2[C:29](=[O:30])[c:31]3[cH:32][cH:33][cH:34][cH:35][c:36]3[C:37]2=[O:38])[OH:39])[CH2:10][CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH:16]2[CH2:17]1.[CH3:43][CH2:44][O:45][CH2:46][CH3:47].[CH3:48][CH2:49][OH:50].[NH2:41][NH2:42].[OH2:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6](=[O:7])[CH:8]1[N:9]([CH2:18][CH:19]([CH:20]([CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[NH2:28])[OH:39])[CH2:10][CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH:16]2[CH2:17]1

Participants

6

Reactant 5

HCID 702EthanolHCID 962WaterHCID 3283Diethyl EtherHCID 9321HydrazineHCID 15235333N-tert-butyl-2-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxy-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide

Product 1

HCID 14962803[3S-[2(2S*,3R),3a,4ab,8ab]]-2-(3-Amino-2-hydroxy-4-phenylbutyl)-N-(1,1-dimethylethyl)decahydro-3-Isoquinolinecarboxamide

Sources & evidence

ORD record
ord-844ef719b321482aa0fe0e58c0ba7671
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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