Acetic Acid → Sodium ion

HRID 677219Notes

Reaction equation

HRID 677219 reaction equation
[C:54](=[O:55])([OH:56])[O-:57].[CH3:59][C:60](=[O:61])[OH:62].[CH3:63][CH2:64][OH:65].[CH3:71][C:72](=[O:73])[CH3:74].[CH:66]([Cl:67])([Cl:68])[Cl:69].[Na+:58].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[OH2:70].[OH:1][CH:2]1[CH:3]([CH3:47])[CH:4]([C:33](=[O:34])[O:35][CH2:36][c:37]2[cH:38][cH:39][c:40]3[c:41]([cH:42][cH:43][cH:44][cH:45]3)[cH:46]2)[N:5]2[CH:6]1[CH:7]([NH:10][C:11]([CH:12]([NH:13][C:14](=[O:15])[N:16]1[C:17](=[O:25])[C:18](=[O:24])[N:19]([CH2:22][CH3:23])[CH2:20][CH2:21]1)[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)=[O:32])[C:8]2=[O:9]>>[Na+:58].[OH:1][CH:2]1[CH:3]([CH3:47])[CH:4]([C:33](=[O:34])[O-:35])[N:5]2[CH:6]1[CH:7]([NH:10][C:11]([CH:12]([NH:13][C:14](=[O:15])[N:16]1[C:17](=[O:25])[C:18](=[O:24])[N:19]([CH2:22][CH3:23])[CH2:20][CH2:21]1)[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)=[O:32])[C:8]2=[O:9]

Participants

11

Reactant 9

HCID 176Acetic AcidHCID 180AcetoneHCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6212ChloroformHCID 312751,4-DioxaneHCID 178462773naphthalen-2-ylmethyl 6-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-hydroxy-3-methyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate

Product 2

HCID 923Sodium ionHCID 178462774HCID 178462774, compound

Sources & evidence

ORD record
ord-3094feb7d0144809bde915da6972931f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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