Benzene → HCID 23174225, compound

HRID 105287Notes

Reaction equation

HRID 105287 reaction equation
[Al+3:27].[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]([C:21](=[O:22])[N:23]([CH3:24])[CH3:25])[cH:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]([S:19][CH3:20])[cH:17][cH:18]2)[cH:6][cH:7]1.[H-:26].[H-:29].[H-:30].[H-:31].[Li+:28].[Na+:33].[OH-:32].[cH:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]([CH2:21][N:23]([CH3:24])[CH3:25])[cH:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]([S:19][CH3:20])[cH:17][cH:18]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 241BenzeneHCID 923Sodium ionHCID 961HydroxideHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 19886178HCID 19886178, compound

Product 1

HCID 23174225HCID 23174225, compound

Sources & evidence

ORD record
ord-4662a4b63afb424b9afd22d67bc4bd2f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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