Water → (Tetrahydro-pyran-4-yl)-(2,2,2-trifluoro-1,1-dimethyl-ethoxycarbonylamino)-acetic acid

HRID 2162006

Reaction equation

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

Participants

Reactant 5

HCID 962Water

HCID 6342Acetonitrile

HCID 81531Diisopropylethylamine

HCID 33855454'-Tetrahydropyranylglycine

HCID 577851834-Nitrophenyl 1,1,1-Trifluoro-2-Methylpropan-2-yl-carbonate

Product 1

HCID 68797736(Tetrahydro-pyran-4-yl)-(2,2,2-trifluoro-1,1-dimethyl-ethoxycarbonylamino)-acetic acid

Sources & evidence

ORD record: ord-212322d09b004bc39e87b4e6e3401664
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Linked notes

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