Acetic Acid → HCID 66919054, compound

HRID 1127242Notes

Reaction equation

HRID 1127242 reaction equation
[CH3:32][C:33](=[O:34])[OH:35].[CH3:38][CH2:39][OH:40].[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8](-[n:13]3[cH:14][n:15][c:16]4[cH:17][cH:18][c:19]([C:24]5=[CH:29][CH2:28][N:27]([CH3:30])[CH2:26][CH2:25]5)[cH:20][c:21]4[c:22]3=[O:23])[c:9]([CH3:12])[cH:10][cH:11]2)=[O:31])[CH2:2][CH2:3]1.[H:36][H:37]>>[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8](-[n:13]3[cH:14][n:15][c:16]4[cH:17][cH:18][c:19]([CH:24]5[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]5)[cH:20][c:21]4[c:22]3=[O:23])[c:9]([CH3:12])[cH:10][cH:11]2)=[O:31])[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 702EthanolHCID 66918964HCID 66918964, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 66919054HCID 66919054, compound

Sources & evidence

ORD record
ord-eb8cc95968324e2cafef46027c4ac470
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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