Ethanol → Di-tert-butyl (3-fluoro-4-formylphenyl)(methyl)malonate

HRID 301539Notes

Reaction equation

HRID 301539 reaction equation
[CH3:33][CH2:34][OH:35].[NH2:29][C:30](=[S:31])[NH2:32].[O:1]1[CH:2]([c:6]2[c:7]([F:28])[cH:8][c:9]([C:12]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH3:27])[cH:10][cH:11]2)[O:5][CH2:4][CH2:3]1.[OH2:36]>>[O:1]=[CH:2][c:6]1[c:7]([F:28])[cH:8][c:9]([C:12]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH3:27])[cH:10][cH:11]1

Participants

5

Reactant 4

HCID 702EthanolHCID 962WaterHCID 2723790ThioureaHCID 57443965Di-tert-butyl [4-(1,3-dioxolan-2-yl)-3-fluorophenyl](methyl)malonate

Product 1

HCID 57443966Di-tert-butyl (3-fluoro-4-formylphenyl)(methyl)malonate

Sources & evidence

ORD record
ord-61f310c8220846d5929933c27d917c9d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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