Hydrochloric Acid → 8-fluoro-5-(p-fluorophenyl)-2-[4-hydroxy-4-(p-fluorophenyl)butyl]-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole

HRID 147950Notes

Reaction equation

HRID 147950 reaction equation
[C:38]([BH3-:39])#[N:40].[CH3:42][OH:43].[ClH:3].[F:25][c:26]1[cH:27][cH:28][c:29]([CH:32]2[CH2:33][CH2:34][CH:35]([OH:37])[O:36]2)[cH:30][cH:31]1.[F:4][c:5]1[cH:6][c:7]2[c:11]([cH:12][cH:13]1)[N:10]([c:14]1[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]1)[CH:9]1[CH:8]2[CH2:24][NH:23][CH2:22][CH2:21]1.[K+:2].[Na+:41].[OH-:1]>>[F:4][c:5]1[cH:6][c:7]2[c:11]([cH:12][cH:13]1)[N:10]([c:14]1[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]1)[CH:9]1[CH:8]2[CH2:24][N:23]([CH2:35][CH2:34][CH2:33][CH:32]([c:29]2[cH:28][cH:27][c:26]([F:25])[cH:31][cH:30]2)[OH:36])[CH2:22][CH2:21]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 813Potassium CationHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 498716Cyano-borohydrideHCID 118300545-(p-Fluorophenyl)-2-hydroxytetrahydrofuranHCID 130143848-Fluoro-5-(4-fluorophenyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole

Product 1

HCID 126660468-fluoro-5-(p-fluorophenyl)-2-[4-hydroxy-4-(p-fluorophenyl)butyl]-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole

Sources & evidence

ORD record
ord-99794ffaa80e4228826ae85c05d9a07f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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