Benzene → Hydrochloric Acid

HRID 694895Notes

Reaction equation

HRID 694895 reaction equation
[C:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)(=[O:24])[CH2:25][CH2:26][CH2:27][Cl:28].[C:29](=[O:30])([O-:31])[O-:32].[CH3:1][O:2][c:3]1[cH:4][c:5]([C:9]23[CH2:10][CH2:11][CH2:12][CH:13]([NH:14][CH2:15]2)[CH2:16]3)[cH:6][cH:7][cH:8]1.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[I-:36].[K+:33].[K+:34].[K+:35].[OH2:43].[cH:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:9]23[CH2:10][CH2:11][CH2:12][CH:13]([N:14]([CH2:27][CH2:26][CH2:25][C:17]([c:18]4[cH:19][cH:20][cH:21][cH:22][cH:23]4)=[O:24])[CH2:15]2)[CH2:16]3)[cH:6][cH:7][cH:8]1.[ClH:28]

Participants

10

Reactant 8

HCID 241BenzeneHCID 813Potassium Cation3×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 2535334-ChlorobutyrophenoneHCID 3045729HCID 3045729, compound

Product 2

HCID 313Hydrochloric AcidHCID 12286654HCID 12286654, compound

Sources & evidence

ORD record
ord-fb98d6f4b2d64f24a4495c3743700c65
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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