Benzene → Perchlorate

HRID 89445

Reaction equation

HRID 89445 reaction equation
[CH3:17][CH2:18][O:19][C:20](=[O:21])[CH3:22].[Cl+3:1]([O-:2])([O-:3])([O-:4])[OH:5].[NH:6]1[CH2:7][CH2:8][CH2:9][CH2:10]1.[OH2:30].[cH:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[nH:23]1[c:24]([CH:28]=[O:29])[cH:25][cH:26][cH:27]1>>[Cl+3:1]([O-:2])([O-:3])([O-:4])[O-:5].[N+:6]1(=[CH:28][c:24]2[nH:23][cH:27][cH:26][cH:25]2)[CH2:7][CH2:8][CH2:9][CH2:10]1

Participants

8

Reactant 6

HCID 241BenzeneHCID 962WaterHCID 8857Ethyl AcetateHCID 13854Pyrrole-2-carboxaldehydeHCID 24247Perchloric AcidHCID 31268Pyrrolidine

Product 2

HCID 123351PerchlorateHCID 121966932-(pyrrolidin-1-ium-1-ylidenemethyl)-1H-pyrrole

Sources & evidence

ORD record
ord-30f66d3d02a043c1b2dc5fbfcbb08974
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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