Acetic Acid → HCID 66961702, compound

HRID 1124312Notes

Reaction equation

HRID 1124312 reaction equation
[C:41](=[O:42])([OH:43])[O-:44].[CH2:5]([O:7][C:8](=[O:6])[C:9]([CH2:10][CH2:11][CH2:12][NH:13][CH2:14][c:15]1[cH:16][c:17]([F:21])[cH:18][cH:19][cH:20]1)=[CH:22][c:23]1[cH:24][c:25]([O:35][CH3:36])[c:26](-[n:29]2[cH:30][n:31][c:32]([CH3:34])[cH:33]2)[cH:27][cH:28]1)[CH3:37].[CH3:1][C:2](=[O:3])[OH:4].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Na+:39].[Na+:45].[OH-:38].[OH2:40]>>[O:7]=[C:8]1[C:9](=[CH:22][c:23]2[cH:24][c:25]([O:35][CH3:36])[c:26](-[n:29]3[cH:30][n:31][c:32]([CH3:34])[cH:33]3)[cH:27][cH:28]2)[CH2:10][CH2:11][CH2:12][N:13]1[CH2:14][c:15]1[cH:16][c:17]([F:21])[cH:18][cH:19][cH:20]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 66960251HCID 66960251, compound

Product 1

HCID 66961702HCID 66961702, compound

Sources & evidence

ORD record
ord-07400b49d0ca438c82eabaa5d37320a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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