Water → Ethyl 4-(2-tert-butoxycarbonylcyclopropyl)-2,3,5trifluorobenzoate

HRID 86145Notes

Reaction equation

HRID 86145 reaction equation
[C:1](=[O:2])([OH:3])[CH:4]1[CH:5]([c:7]2[c:8]([F:20])[c:9]([F:19])[c:10]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[cH:16][c:17]2[F:18])[CH2:6]1.[C:33]([O:34][C:37]([CH3:38])([CH3:39])[CH3:40])(=[O:35])[CH3:36].[CH3:26][CH2:27][O:28][C:29](=[O:30])[CH3:31].[Cl+3:21]([OH:22])([O-:23])([O-:24])[O-:25].[OH2:32]>>[C:1]([O:2][C:37]([CH3:38])([CH3:39])[CH3:40])(=[O:3])[CH:4]1[CH:5]([c:7]2[c:8]([F:20])[c:9]([F:19])[c:10]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[cH:16][c:17]2[F:18])[CH2:6]1

Participants

6

Reactant 5

HCID 962WaterHCID 8857Ethyl AcetateHCID 10908tert-Butyl acetateHCID 24247Perchloric AcidHCID 15136262Ethyl 4-(2-carboxycyclopropyl)-2,3,5-trifluorobenzoate

Product 1

HCID 15136263Ethyl 4-(2-tert-butoxycarbonylcyclopropyl)-2,3,5trifluorobenzoate

Sources & evidence

ORD record
ord-701e98ac37cb439c80d29d8a6dd93e2a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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