Acetic Acid → HCID 178493215, compound

HRID 126359

Reaction equation

HRID 126359 reaction equation
[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH3:54][C:55](=[O:56])[OH:57].[CH3:58][C:59]#[N:60].[Cl:28][N:29]1[C:30](=[O:34])[c:31]2[cH:32][cH:33][cH:35][cH:36][c:37]2[C:38]1=[O:39].[F:1][CH:2]([O:3][c:4]1[cH:5][c:6]2[c:7]([nH:8][c:9]([S:11][CH2:12][c:13]3[n:14][cH:15][cH:16][c:17]([O:21][CH3:22])[c:18]3[O:19][CH3:20])[n:10]2)[cH:23][cH:24]1)[F:25].[Na+:27].[Na+:47].[Na+:48].[OH-:26].[S:40]([S:41]([O-:42])=[O:43])([O-:44])(=[O:45])=[O:46]>>[F:1][CH:2]([O:3][c:4]1[cH:5][c:6]2[c:7]([nH:8][c:9]([S:11]([CH2:12][c:13]3[n:14][cH:15][cH:16][c:17]([O:21][CH3:22])[c:18]3[O:19][CH3:20])=[O:34])[n:10]2)[cH:23][cH:24]1)[F:25]

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 923Sodium ion3×HCID 961HydroxideHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 18997N-ChlorophthalimideHCID 159940DisulfiteHCID 9799341Pantoprazole sulfide

Product 1

HCID 178493215HCID 178493215, compound

Sources & evidence

ORD record
ord-bc5e30f2ff5d4767a97f93946a3aabc6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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