Hydrochloric Acid → (-)-1-(9-hydroxy-4-methyl-9-trifluoromethyl-9H-fluorene-2-carbonyl)-azetidine-3-carboxylic acid dimethylamide

HRID 100846Notes

Reaction equation

HRID 100846 reaction equation
[CH3:24][N:25]([C:26](=[O:27])[CH:28]1[CH2:29][NH:30][CH2:31]1)[CH3:32].[CH3:34][N:35]([CH3:36])[CH2:37][CH2:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH3:44].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[ClH:23].[ClH:33].[OH2:45].[OH:1][C:2]1([C:19]([F:20])([F:21])[F:22])[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2-[c:9]2[c:10]([CH3:18])[cH:11][c:12]([C:15](=[O:16])[OH:17])[cH:13][c:14]21.[OH:46][n:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[OH:1][C:2]1([C:19]([F:20])([F:21])[F:22])[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2-[c:9]2[c:10]([CH3:18])[cH:11][c:12]([C:15](=[O:17])[N:30]3[CH2:29][CH:28]([C:26]([N:25]([CH3:24])[CH3:32])=[O:27])[CH2:31]3)[cH:13][c:14]21

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 53308703N,N-Dimethyl-3-azetidinecarboxamideHCID 594925279-hydroxy-4-methyl-9-trifluoromethyl-9H-fluorene-2-carboxylic acid

Product 1

HCID 59493074(-)-1-(9-hydroxy-4-methyl-9-trifluoromethyl-9H-fluorene-2-carbonyl)-azetidine-3-carboxylic acid dimethylamide

Sources & evidence

ORD record
ord-3541818cd78f4310808af022157911f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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