Acetic Acid → HCID 67304315, compound

HRID 1566632Notes

Reaction equation

HRID 1566632 reaction equation
[CH2:3]([CH2:4][CH3:5])[O:6][CH:7]([C:8](=[O:9])[O:10][CH3:11])[CH2:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[cH:20][c:21]([N:25]([C:26](=[O:27])[NH:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[CH3:36])[cH:22][cH:23][cH:24]2)[cH:17][cH:18]1.[CH3:37][OH:38].[CH3:45][C:46](=[O:47])[OH:48].[Na+:2].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH-:1].[OH2:44]>>[CH2:3]([CH2:4][CH3:5])[O:6][CH:7]([C:8](=[O:9])[OH:10])[CH2:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[cH:20][c:21]([N:25]([C:26](=[O:27])[NH:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[CH3:36])[cH:22][cH:23][cH:24]2)[cH:17][cH:18]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 77263176HCID 77263176, compound

Product 1

HCID 67304315HCID 67304315, compound

Sources & evidence

ORD record
ord-33a8d0186fbb48eb85e1e374094f3762
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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