Acetic Acid → HCID 22660145, compound

HRID 163922Notes

Reaction equation

HRID 163922 reaction equation
[C:53]([OH:54])(=[O:55])[CH3:56].[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6](=[O:7])[C:8]1([CH2:13][CH2:14][CH2:15][CH2:16][S:17](=[O:18])(=[O:19])[CH3:20])[CH2:9][CH2:10][CH2:11][CH2:12]1)[CH2:21][c:22]1[cH:23][cH:24][c:25]([N:28]2[CH:29]([c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[N:30]([C:41]([CH3:42])=[O:43])[CH:31]([CH2:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[C:32]2=[O:33])[cH:26][cH:27]1)=[O:50].[CH3:57][CH2:58][OH:59].[Na+:52].[OH-:51]>>[O:2]=[C:3]([CH:4]([NH:5][C:6](=[O:7])[C:8]1([CH2:13][CH2:14][CH2:15][CH2:16][S:17](=[O:18])(=[O:19])[CH3:20])[CH2:9][CH2:10][CH2:11][CH2:12]1)[CH2:21][c:22]1[cH:23][cH:24][c:25]([N:28]2[CH:29]([c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[N:30]([C:41]([CH3:42])=[O:43])[CH:31]([CH2:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[C:32]2=[O:33])[cH:26][cH:27]1)[OH:50]

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 22660203HCID 22660203, compound

Product 1

HCID 22660145HCID 22660145, compound

Sources & evidence

ORD record
ord-d03a9fcc500e4042b5f099c1f9117247
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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