Acetic Acid → Acetic Acid

HRID 183511Notes

Reaction equation

HRID 183511 reaction equation
[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:1][C:2]([OH:3])=[O:4].[CH3:31][CH2:32][O:33][C:34]([CH3:35])=[O:36].[CH3:37][C:38]#[N:39].[OH:5][NH:6][C:7]([CH:8]=[CH:9][c:10]1[n:11][cH:12][c:13]([NH:16][CH:17]2[CH2:18][N:19]([CH2:22][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH2:20][CH2:21]2)[n:14][cH:15]1)=[O:30]>>[CH3:1][C:2](=[O:3])[OH:4].[OH:5][NH:6][C:7]([CH:8]=[CH:9][c:10]1[n:11][cH:12][c:13]([NH:16][CH:17]2[CH2:18][N:19]([CH2:22][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH2:20][CH2:21]2)[n:14][cH:15]1)=[O:30]

Participants

7

Reactant 5

HCID 176Acetic AcidHCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 178520504HCID 178520504, compound

Product 2

HCID 176Acetic AcidHCID 178520504HCID 178520504, compound

Sources & evidence

ORD record
ord-d93fd550dfd24a76a5f2766a001a7213
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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