Benzene → Hydrochloric Acid

HRID 677844Notes

Reaction equation

HRID 677844 reaction equation
[CH2:28]([CH3:29])[N:30]([CH2:31][C:32]([CH2:33][OH:34])([CH2:35][CH3:36])[CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][cH:12][c:13]([C:15](=[O:16])[OH:17])[o:14]2)[cH:8][cH:9]1.[S:18]([Cl:19])([Cl:20])=[O:21].[cH:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[CH2:28]([CH3:29])[N:30]([CH2:31][C:32]([CH2:33][OH:34])([CH2:35][CH3:36])[CH2:37][CH3:38])[CH2:39][CH3:40].[ClH:20].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][cH:12][c:13]([C:15](=[O:16])[OH:17])[o:14]2)[cH:8][cH:9]1

Participants

8

Reactant 5

HCID 241BenzeneHCID 1140TolueneHCID 24386Thionyl ChlorideHCID 1615935-(4-Nitrophenyl)-2-furancarboxylic acidHCID 149871243-Diethylamino-2,2-diethylpropanol

Product 3

HCID 313Hydrochloric AcidHCID 1615935-(4-Nitrophenyl)-2-furancarboxylic acidHCID 149871243-Diethylamino-2,2-diethylpropanol

Sources & evidence

ORD record
ord-7b1f1a4fae444a658733d313b332126f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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