Toluene → Trifluoroacetic acid

HRID 166566Notes

Reaction equation

HRID 166566 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][C:9]([CH3:10])([CH3:11])[c:12]1[cH:13][c:14]([CH2:18][CH2:19][C:20]2([CH:28]3[CH2:29][CH2:30][CH2:31][CH2:32]3)[O:21][C:22](=[O:27])[CH2:23][C:24](=[O:26])[CH2:25]2)[cH:15][cH:16][cH:17]1)([CH3:5])([CH3:6])[CH3:33].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Cl:41][CH2:42][Cl:43].[F:34][C:35]([C:36](=[O:37])[OH:38])([F:39])[F:40]>>[F:34][C:35]([C:36](=[O:37])[OH:38])([F:39])[F:40].[NH2:7][CH2:8][C:9]([CH3:10])([CH3:11])[c:12]1[cH:13][c:14]([CH2:18][CH2:19][C:20]2([CH:28]3[CH2:29][CH2:30][CH2:31][CH2:32]3)[O:21][C:22](=[O:27])[CH2:23][C:24](=[O:26])[CH2:25]2)[cH:15][cH:16][cH:17]1

Participants

6

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 16728682tert-butyl N-[2-[3-[2-(2-cyclopentyl-4,6-dioxo-tetrahydropyran-2-yl)ethyl]phenyl]-2-methyl-propyl]carbamate

Product 2

HCID 6422Trifluoroacetic acidHCID 688663116-[2-[3-(1-Amino-2-methylpropan-2-yl)phenyl]ethyl]-6-cyclopentyloxane-2,4-dione

Sources & evidence

ORD record
ord-69fede7fc794414997b7432530eba444
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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