Benzene → Hydrochloric Acid

HRID 168477Notes

Reaction equation

HRID 168477 reaction equation
[CH2:18]([P:19]([CH2:20][CH2:21][CH2:22][CH3:23])[CH2:24][CH2:25][CH2:26][CH3:27])[CH2:28][CH2:29][CH3:30].[CH3:31][N:32]1[CH2:33][CH:34]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[CH:35]([OH:38])[CH2:36][CH2:37]1.[Cl:52][CH2:53][Cl:54].[ClH:45].[c:1]1([N:2]2[C:3](=[O:4])[c:5]3[cH:6][cH:7][cH:8][cH:9][c:10]3[C:11]2=[S:17])[cH:12][cH:13][cH:14][cH:15][cH:16]1.[cH:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[ClH:45].[S:17]([CH:35]1[CH:34]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[CH2:33][N:32]([CH3:31])[CH2:37][CH2:36]1)[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1

Participants

8

Reactant 6

HCID 241BenzeneHCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 13831TributylphosphineHCID 123508462-Phenyl-3-sulfanylidene-2,3-dihydro-1H-isoindol-1-oneHCID 127883781-Methyl-3-phenyl-4-piperidinol

Product 2

HCID 313Hydrochloric AcidHCID 127884781-Methyl-3-phenyl-4-phenylsulfanylpiperidine

Sources & evidence

ORD record
ord-d5ae74df7e034b279cf32063df590c81
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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