Hydrochloric Acid → Oxalic Acid

HRID 2143542Notes

Reaction equation

HRID 2143542 reaction equation
[C:1]([C:2](=[O:3])[OH:4])(=[O:5])[OH:6].[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:56][OH:57].[CH3:58][CH2:59][OH:60].[CH3:7][O:8][C:9]([CH2:10][CH2:11][CH2:12][O:13][c:14]1[cH:15][cH:16][c:17](-[c:20]2[c:21]([CH2:29][c:30]3[cH:31][c:32]([O:44][CH3:45])[c:33]([O:36][CH2:37][CH2:38][N:39]4[CH2:40][CH2:41][CH2:42][CH2:43]4)[cH:34][cH:35]3)[c:22]3[c:23]([s:24]2)[cH:25][cH:26][cH:27][cH:28]3)[cH:18][cH:19]1)=[O:46].[ClH:49].[Na+:48].[OH-:47].[OH:50][C:51]([C:52](=[O:53])[OH:54])=[O:55]>>[C:1]([C:2](=[O:3])[OH:4])(=[O:5])[OH:6].[O:8]=[C:9]([CH2:10][CH2:11][CH2:12][O:13][c:14]1[cH:15][cH:16][c:17](-[c:20]2[c:21]([CH2:29][c:30]3[cH:31][c:32]([O:44][CH3:45])[c:33]([O:36][CH2:37][CH2:38][N:39]4[CH2:40][CH2:41][CH2:42][CH2:43]4)[cH:34][cH:35]3)[c:22]3[c:23]([s:24]2)[cH:25][cH:26][cH:27][cH:28]3)[cH:18][cH:19]1)[OH:46]

Participants

10

Reactant 8

HCID 313Hydrochloric AcidHCID 702EthanolHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 971Oxalic Acid2×HCID 8028TetrahydrofuranHCID 20682332HCID 20682332, compound

Product 2

HCID 971Oxalic AcidHCID 217063634-[4-[3-[[3-Methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanoic acid

Sources & evidence

ORD record
ord-27084905a4cd47488fd25c2de5f4a225
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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