Acetic Acid → HCID 57559701, compound

HRID 1239649Notes

Reaction equation

HRID 1239649 reaction equation
[C:38]([OH:39])(=[O:40])[CH3:41].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][cH:8][n:9](-[c:11]2[c:12]([CH3:37])[cH:13][cH:14][c:15]([C:17]([NH:18][c:19]3[c:20]([O:34][CH3:35])[c:21]([NH:29][S:30](=[O:31])(=[O:32])[CH3:33])[cH:22][c:23]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:24]3)=[O:36])[cH:16]2)[cH:10]1.[CH3:42][OH:43].[OH2:44]>>[O:3]=[C:4]([OH:5])[c:6]1[n:7][cH:8][n:9](-[c:11]2[c:12]([CH3:37])[cH:13][cH:14][c:15]([C:17]([NH:18][c:19]3[c:20]([O:34][CH3:35])[c:21]([NH:29][S:30](=[O:31])(=[O:32])[CH3:33])[cH:22][c:23]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:24]3)=[O:36])[cH:16]2)[cH:10]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 887MethanolHCID 962WaterHCID 11562766HCID 11562766, compound

Product 1

HCID 57559701HCID 57559701, compound

Sources & evidence

ORD record
ord-fc8fa099db9b476cadfaf83a1dae8510
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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