Ethanol → 5-((2'-oxo-6H-spiro[benzofuro[6,5-d][1,3]dioxole-7,3'-indoline]-1'-yl)methyl)-2-(trifluoromethyl)furan-3-carboxylic acid

HRID 2124326Notes

Reaction equation

HRID 2124326 reaction equation
[CH3:39][CH2:40][OH:41].[Na+:38].[O:1]=[C:2]1[N:3]([CH2:22][c:23]2[cH:24][c:25]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[c:26]([C:28]([F:29])([F:30])[F:31])[o:27]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[C:10]12[CH2:11][O:12][c:13]1[c:14]2[cH:15][c:16]2[c:17]([cH:21]1)[O:18][CH2:19][O:20]2.[OH-:37].[OH2:42]>>[O:1]=[C:2]1[N:3]([CH2:22][c:23]2[cH:24][c:25]([C:32](=[O:33])[OH:34])[c:26]([C:28]([F:29])([F:30])[F:31])[o:27]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[C:10]12[CH2:11][O:12][c:13]1[c:14]2[cH:15][c:16]2[c:17]([cH:21]1)[O:18][CH2:19][O:20]2

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 68598357ethyl 5-[(2'-oxospiro[furo[2,3-f][1,3]benzodioxole-7,3'-indol]-1'(2'H)-yl)methyl]-2-(trifluoromethyl)furan-3-carboxylate

Product 1

HCID 685965505-((2'-oxo-6H-spiro[benzofuro[6,5-d][1,3]dioxole-7,3'-indoline]-1'-yl)methyl)-2-(trifluoromethyl)furan-3-carboxylic acid

Sources & evidence

ORD record
ord-122bf2ec97b446e7b2e6cb3ecedae2d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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