Acetic Acid → 7-amino-9a-butyl-8-chloro-6-fluoro-1,2,9,9a-tetrahydro-3H-fluoren-3-one

HRID 114986Notes

Reaction equation

HRID 114986 reaction equation
[CH2:27]1[CH2:28][NH:29][CH2:30][CH2:31]1.[CH3:23][C:24](=[O:25])[OH:26].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[NH2:1][c:2]1[c:3]([Cl:22])[c:4]2[c:8]([cH:9][c:10]1[F:11])[C:7](=[O:12])[C:6]([CH2:13][CH2:14][C:15]([CH3:16])=[O:17])([CH2:18][CH2:19][CH2:20][CH3:21])[CH2:5]2>>[NH2:1][c:2]1[c:3]([Cl:22])[c:4]2[c:8]([cH:9][c:10]1[F:11])[C:7]1=[CH:16][C:15](=[O:17])[CH2:14][CH2:13][C:6]1([CH2:18][CH2:19][CH2:20][CH3:21])[CH2:5]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 1140TolueneHCID 31268PyrrolidineHCID 210720055-Amino-2-butyl-4-chloro-6-fluoro-2-(3-oxobutyl)-1-indanone

Product 1

HCID 210720137-amino-9a-butyl-8-chloro-6-fluoro-1,2,9,9a-tetrahydro-3H-fluoren-3-one

Sources & evidence

ORD record
ord-c29be925285948119eee9dbee055ae9b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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