Ethylbenzene → HCID 178499988, compound

HRID 295569Notes

Reaction equation

HRID 295569 reaction equation
[CH2:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[CH3:16].[CH3:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28].[CH3:29][N:30]([CH3:31])[CH2:32][CH2:33][N:34]([CH3:35])[CH3:36].[CH3:37][O:38][C:39]([CH2:40][c:41]1[cH:42][c:43]([Cl:51])[c:44]([S:47](=[O:48])(=[O:49])[CH3:50])[cH:45][cH:46]1)=[O:52].[CH:1]([N-:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[I:53][CH2:54][CH:55]1[CH2:56][S:57][CH2:58][CH2:59][CH2:60]1.[Li+:8].[O:17]1[CH2:18][CH2:19][CH2:20][CH2:21]1.[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1>>[CH3:37][O:38][C:39]([CH:40]([c:41]1[cH:42][c:43]([Cl:51])[c:44]([S:47](=[O:48])(=[O:49])[CH3:50])[cH:45][cH:46]1)[CH2:54][CH:55]1[CH2:56][S:57][CH2:58][CH2:59][CH2:60]1)=[O:52]

Participants

9

Reactant 8

HCID 7500EthylbenzeneHCID 8028Tetrahydrofuran2×HCID 8037N,N,N',N'-TetramethylethylenediamineHCID 8900HeptaneHCID 28486Lithium ionHCID 5062348DiisopropylamideHCID 21959054HCID 21959054, compoundHCID 67482122HCID 67482122, compound

Product 1

HCID 178499988HCID 178499988, compound

Sources & evidence

ORD record
ord-a059993cdf6a401fa42fba11269d4372
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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