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Benzene → Oxalic Acid

HRID 90474
Notes
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Reaction equation

HRID 90474 reaction equation
[C:29]([C:30](=[O:31])[O-:32])(=[O:33])[O-:34].[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH2:24][NH:25][CH2:26][CH2:27][Cl:28].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:11]([cH:12]1)[CH:10]([CH3:13])[C:9](=[O:14])[CH2:8][CH2:7]2.[H-:15].[Na+:16].[cH:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[C:29]([C:30](=[O:31])[OH:32])(=[O:33])[OH:34].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:11]([cH:12]1)[C:10]([CH3:13])([CH2:27][CH2:26][NH:25][CH2:24][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[C:9](=[O:14])[CH2:8][CH2:7]2
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 6

HCID 241BenzeneHCID 923Sodium IonHCID 71081OxalateHCID 166653HydrideHCID 107977551-Methyl-7-methoxy-2-tetraloneHCID 21293877N-(2-chloroethyl)-2-phenylethanamine

Product 2

HCID 971
Oxalic Acid
HCID 681333807-Methoxy-1-methyl-1-[2-(2-phenylethylamino)ethyl]-3,4-dihydronaphthalen-2-one

Sources & evidence

ORD record
ord-ec025d602d014d59ae2dc5bc9de583a5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes