Ethylbenzene → HCID 178499988, compound

HRID 2346937Notes

Reaction equation

HRID 2346937 reaction equation
[CH2:41]([c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[CH3:48].[CH3:17][O:18][C:19]([CH2:20][c:21]1[cH:22][c:23]([Cl:31])[c:24]([S:27](=[O:28])(=[O:29])[CH3:30])[cH:25][cH:26]1)=[O:32].[CH3:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH3:60].[CH3:9][N:10]([CH3:11])[CH2:12][CH2:13][N:14]([CH3:15])[CH3:16].[CH:1]([N-:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[I:33][CH2:34][CH:35]1[CH2:36][S:37][CH2:38][CH2:39][CH2:40]1.[Li+:8].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1>>[CH3:17][O:18][C:19]([CH:20]([c:21]1[cH:22][c:23]([Cl:31])[c:24]([S:27](=[O:28])(=[O:29])[CH3:30])[cH:25][cH:26]1)[CH2:34][CH:35]1[CH2:36][S:37][CH2:38][CH2:39][CH2:40]1)=[O:32]

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-588e2ce2ad8b4ffca9555e3a08f177ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…