Benzene → Hydrochloric Acid

HRID 2338306Notes

Reaction equation

HRID 2338306 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cl:38][CH2:39][CH2:40][CH2:41][C:42]([c:43]1[cH:44][cH:45][c:46]([F:47])[cH:48][cH:49]1)=[O:50].[ClH:1].[F:2][c:3]1[cH:4][cH:5][c:6]([C:9]([CH2:10][CH2:11][CH2:12][NH:13][CH:14]2[CH2:15][CH2:16][CH:17]([c:20]3[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]3)[CH2:18][CH2:19]2)=[O:27])[cH:7][cH:8]1.[H-:28].[I-:37].[K+:34].[K+:35].[K+:36].[Na+:29].[OH2:57].[cH:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[ClH:1].[ClH:38].[F:2][c:3]1[cH:4][cH:5][c:6]([C:9]([CH2:10][CH2:11][CH2:12][NH:13][CH:14]2[CH2:15][CH2:16][CH:17]([c:20]3[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]3)[CH2:18][CH2:19]2)=[O:27])[cH:7][cH:8]1

Participants

13

Reactant 11

HCID 241BenzeneHCID 313Hydrochloric AcidHCID 813Potassium Cation3×HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 197503-(4-Fluorobenzoyl)propyl chlorideHCID 30165Iodide IonHCID 37529HCID 37529, compoundHCID 166653Hydride

Product 2

HCID 313Hydrochloric Acid2×HCID 37529HCID 37529, compound

Sources & evidence

ORD record
ord-006e0253af7e48509380e3c78eca80aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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