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Acetic Acid → 3-[5-(Ethoxycarbonyl)-2-formyl-4-methyl-1H-pyrrol-3-yl]propanoic acid

HRID 2345756
Notes
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Reaction equation

HRID 2345756 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[nH:7][c:8]([CH3:17])[c:9]([CH2:12][CH2:13][C:14](=[O:15])[OH:16])[c:10]1[CH3:11].[CH3:28][C:29](=[O:30])[OH:31].[NH4+:18].[O-:19][N+:20](=[O:21])[O-:22].[O:23]1[CH2:24][CH2:25][CH2:26][CH2:27]1.[OH2:32]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[nH:7][c:8]([CH:17]=[O:19])[c:9]([CH2:12][CH2:13][C:14](=[O:15])[OH:16])[c:10]1[CH3:11]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 223AmmoniumHCID 943NitrateHCID 962WaterHCID 8028TetrahydrofuranHCID 1422052,4-Dimethyl-5-carboxy-1H-pyrrole-3-propanoic acid 5-ethyl ester

Product 1

HCID 152706233-[5-(Ethoxycarbonyl)-2-formyl-4-methyl-1H-pyrrol-3-yl]propanoic acid

Sources & evidence

ORD record
ord-869598c8768742ec8701f70fa40fb89c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes