Acetic Acid → HCID 178433619, compound

HRID 2158723Notes

Reaction equation

HRID 2158723 reaction equation
[CH2:26]=[O:27].[CH3:1][NH:2][CH3:3].[CH3:30][C:31](=[O:32])[OH:33].[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[CH3:4][c:5]1[nH:6][c:7]2[cH:8][cH:9][c:10]([CH:14]=[CH:15][C:16](=[O:17])[O:18][CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:11][c:12]2[cH:13]1.[Na+:29].[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[OH-:28]>>[CH3:1][N:2]([CH3:3])[CH2:26][c:13]1[c:5]([CH3:4])[nH:6][c:7]2[cH:8][cH:9][c:10]([CH:14]=[CH:15][C:16](=[O:17])[O:18][CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:11][c:12]21

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 674DimethylamineHCID 712FormaldehydeHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 53974058HCID 53974058, compound

Product 1

HCID 178433619HCID 178433619, compound

Sources & evidence

ORD record
ord-2440a453f552414a86536893421e6a49
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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