Hydrochloric Acid → Oxalic Acid

HRID 162270Notes

Reaction equation

HRID 162270 reaction equation
[C:1](=[O:2])([OH:3])[CH:4]1[CH2:5][C:6](=[O:9])[NH:7][CH2:8]1.[C:50]([C:51](=[O:52])[O-:53])(=[O:54])[O-:55].[ClH:10].[ClH:11].[N:12]1([CH2:17][CH2:18][O:19][c:20]2[cH:21][cH:22][c:23]([CH2:24][c:25]3[c:26]4[c:27]([s:28][c:29]3-[c:30]3[cH:31][cH:32][c:33]([NH:36][C:37]([c:38]5[n:39][cH:40][nH:41][cH:42]5)=[O:43])[cH:34][cH:35]3)[cH:44][cH:45][cH:46][cH:47]4)[cH:48][cH:49]2)[CH2:13][CH2:14][CH2:15][CH2:16]1>>[C:1](=[O:3])([CH:4]1[CH2:5][C:6](=[O:9])[NH:7][CH2:8]1)[NH:36][c:33]1[cH:32][cH:31][c:30](-[c:29]2[c:25]([CH2:24][c:23]3[cH:22][cH:21][c:20]([O:19][CH2:18][CH2:17][N:12]4[CH2:13][CH2:14][CH2:15][CH2:16]4)[cH:49][cH:48]3)[c:26]3[c:27]([s:28]2)[cH:44][cH:45][cH:46][cH:47]3)[cH:35][cH:34]1.[C:50]([C:51](=[O:52])[OH:53])(=[O:54])[OH:55]

Participants

6

Reactant 4

HCID 313Hydrochloric Acid2×HCID 71081OxalateHCID 167851365-Oxopyrrolidine-3-carboxylic acidHCID 178521908HCID 178521908, compound

Product 2

HCID 971Oxalic AcidHCID 213366445-oxo-N-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenyl]pyrrolidine-3-carboxamide

Sources & evidence

ORD record
ord-0d7b348b8c1349618c06ffd5d4ee05af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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