Perchloric Acid → Perchloric Acid

HRID 137645Notes

Reaction equation

HRID 137645 reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[N:9]=[C:10]([c:11]1[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]1)[Cl:18].[CH3:24][n:25]1[c:26]([CH2:31][C:32](=[O:33])[O:34][CH3:35])[cH:27][c:28]([CH3:30])[cH:29]1.[Cl+3:36]([O-:37])([O-:38])([O-:39])[OH:40].[Cl:19][S:20]([OH:21])(=[O:22])=[O:23]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[N:9]=[C:10]([c:11]1[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]1)[c:29]1[n:25]([CH3:24])[c:26]([CH2:31][C:32](=[O:33])[O:34][CH3:35])[cH:27][c:28]1[CH3:30].[Cl+3:36]([O-:37])([O-:38])([O-:39])[OH:40]

Participants

6

Reactant 4

HCID 24247Perchloric AcidHCID 24638Chlorosulfonic acidHCID 13221886Methyl 1,4-dimethyl-1H-pyrrole-2-acetateHCID 13477601N-Octyl 4-Chlorobenzimidoyl Chloride

Product 2

HCID 24247Perchloric AcidHCID 18598663methyl 2-[5-[C-(4-chlorophenyl)-N-octylcarbonimidoyl]-1,4-dimethylpyrrol-2-yl]acetate

Sources & evidence

ORD record
ord-19afa582e955460aacc9211a71669fcb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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