Acetic Acid → Acetate

HRID 207181Notes

Reaction equation

HRID 207181 reaction equation
[CH2:34]([OH:35])[CH2:36][CH2:37][CH3:38].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH2:7][NH:8][C:9](=[O:10])[c:11]1[c:12]([CH3:13])[nH:14][c:15]([CH:16]=[C:17]2[C:18](=[O:19])[NH:20][c:21]3[cH:22][cH:23][c:24]([F:25])[cH:26][c:27]32)[c:28]1[CH3:29].[CH3:30][C:31]([OH:32])=[O:33]>>[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH2:7][NH:8][C:9](=[O:10])[c:11]1[c:12]([CH3:13])[nH:14][c:15]([CH:16]=[C:17]2[C:18](=[O:19])[NH:20][c:21]3[cH:22][cH:23][c:24]([F:25])[cH:26][c:27]32)[c:28]1[CH3:29].[CH3:30][C:31](=[O:32])[O-:33]

Participants

5

Reactant 3

HCID 176Acetic AcidHCID 2631-ButanolHCID 30866865-(5-Fluoro-2-oxo-1,2-dihydroindol-3-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (2-diethylaminoethyl)amide

Product 2

HCID 175AcetateHCID 30866865-(5-Fluoro-2-oxo-1,2-dihydroindol-3-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (2-diethylaminoethyl)amide

Sources & evidence

ORD record
ord-ab59ea14126347029151b8fcbed3251d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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