Benzene → Hydrochloric Acid

HRID 1148835Notes

Reaction equation

HRID 1148835 reaction equation
[C:17](=[O:18])([O-:19])[O-:20].[C:1]([CH:2]([N:3]1[CH2:4][CH2:5][NH:6][CH2:7][CH2:8]1)[c:9]1[cH:11][cH:12][c:13]([Cl:10])[cH:14][cH:15]1)#[N:16].[C:29](#[N:30])[CH:31]([c:32]1[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]1)[N:39]1[CH2:40][CH2:41][N:42]([C:45](=[O:46])[O:47][CH2:48][CH3:49])[CH2:43][CH2:44]1.[Cl:23][C:24]([O:25][CH2:26][CH3:27])=[O:28].[K+:21].[K+:22].[OH2:56].[cH:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[C:29](#[N:30])[CH:31]([c:32]1[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]1)[N:39]1[CH2:40][CH2:41][N:42]([C:45](=[O:46])[O:47][CH2:48][CH3:49])[CH2:43][CH2:44]1.[ClH:10]

Participants

9

Reactant 7

HCID 241BenzeneHCID 813Potassium Cation2×HCID 962WaterHCID 10928Ethyl chloroformateHCID 19660Carbonate IonHCID 21388465α-(4-Chlorophenyl)-1-piperazineacetonitrileHCID 21388468HCID 21388468, compound

Product 2

HCID 313Hydrochloric AcidHCID 21388468HCID 21388468, compound

Sources & evidence

ORD record
ord-ff592c30695c4e23aeda108124ecdef7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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