Oxalic Acid → Oxalic Acid

HRID 96579Notes

Reaction equation

HRID 96579 reaction equation
[C:1]([C:2](=[O:3])[OH:4])(=[O:5])[OH:6].[C:29]([OH:30])(=[O:31])[C:32]([OH:33])=[O:34].[CH3:35][N:36]([CH3:37])[CH2:38][CH:39]([CH2:40][O:41][c:42]1[cH:43][cH:44][c:45]([C:48]([F:49])([F:50])[F:51])[cH:46][cH:47]1)[CH2:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:7][N:8]([CH2:9][CH:10]([CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH2:18][O:19][c:20]1[cH:21][cH:22][c:23]([S:24][CH3:25])[cH:26][cH:27]1)[CH3:28]>>[C:1]([C:2](=[O:3])[OH:4])(=[O:5])[OH:6].[CH3:35][NH:36][CH2:38][CH:39]([CH2:40][O:41][c:42]1[cH:43][cH:44][c:45]([C:48]([F:49])([F:50])[F:51])[cH:46][cH:47]1)[CH2:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1

Participants

5

Reactant 3

HCID 971Oxalic Acid2×HCID 13653935N,N-dimethyl-2-benzyl-3-(4-trifluoromethylphenoxy)propylamineHCID 136539382-benzyl-N,N-dimethyl-3-(4-methylsulfanylphenoxy)propan-1-amine

Product 2

HCID 971Oxalic AcidHCID 136539652-benzyl-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

Sources & evidence

ORD record
ord-f4ace36f25024c3b8aaebe6d1b74cda5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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