Acetic Acid → HCID 58959917, compound

HRID 2129849Notes

Reaction equation

HRID 2129849 reaction equation
[C:42](=[O:43])([OH:44])[O-:45].[CH3:47][C:48](=[O:49])[OH:50].[Cl:1][c:2]1[c:3]([F:32])[c:4]([CH2:5][C:6]([C:7]([F:8])([F:9])[F:10])([CH2:11][C:12]([CH3:13])([CH3:14])[c:15]2[cH:16][cH:17][cH:18][c:19]3[c:23]2[O:22][CH2:21][CH2:20]3)[OH:24])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1.[Na+:46].[OH:33][N+:34]([O-:35])=[O:36].[S:37](=[O:38])(=[O:39])([OH:40])[OH:41]>>[Cl:1][c:2]1[c:3]([F:32])[c:4]([CH2:5][C:6]([C:7]([F:8])([F:9])[F:10])([CH2:11][C:12]([CH3:13])([CH3:14])[c:15]2[cH:16][c:17]([N+:34](=[O:33])[O-:35])[cH:18][c:19]3[c:23]2[O:22][CH2:21][CH2:20]3)[OH:24])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 944Nitric AcidHCID 1118Sulfuric AcidHCID 10195692HCID 10195692, compound

Product 1

HCID 58959917HCID 58959917, compound

Sources & evidence

ORD record
ord-0fd9c574efec4f738bb94665de16c3d1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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