Acetic Acid → HCID 18341408, compound

HRID 2139700Notes

Reaction equation

HRID 2139700 reaction equation
[C:56]([OH:57])(=[O:58])[CH3:59].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH2:10][CH:11]([C:12](=[O:13])[NH:14][CH:15]([C:16]([CH3:17])([CH3:18])[CH3:19])[C:20]([NH:21][c:22]1[cH:23][cH:24][n:25][cH:26][cH:27]1)=[O:28])[n:29]1[cH:30][c:31](-[c:34]2[cH:35][cH:36][c:37](-[c:40]3[cH:41][cH:42][n:43][cH:44][cH:45]3)[cH:38][cH:39]2)[cH:32][cH:33]1)=[O:46].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[CH3:53][CH2:54][OH:55]>>[O:8]=[C:9]([CH2:10][CH:11]([C:12](=[O:13])[NH:14][CH:15]([C:16]([CH3:17])([CH3:18])[CH3:19])[C:20]([NH:21][c:22]1[cH:23][cH:24][n:25][cH:26][cH:27]1)=[O:28])[n:29]1[cH:30][c:31](-[c:34]2[cH:35][cH:36][c:37](-[c:40]3[cH:41][cH:42][n:43][cH:44][cH:45]3)[cH:38][cH:39]2)[cH:32][cH:33]1)[OH:46]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 702EthanolHCID 8857Ethyl AcetateHCID 18341473HCID 18341473, compound

Product 1

HCID 18341408HCID 18341408, compound

Sources & evidence

ORD record
ord-a4b05910619041fbbc97e84bbc1ae3bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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