Sodium ion → HCID 21471359, compound

HRID 2338059Notes

Reaction equation

HRID 2338059 reaction equation
[C:1]([OH:2])([CH3:3])([CH3:4])[CH3:5].[CH3:33][C:34]#[N:35].[CH3:36][CH2:37][O:38][CH2:39][CH3:40].[CH3:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[Cl:30][CH2:31][Cl:32].[F:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[c:14]([CH2:26][OH:27])[c:15]([CH3:25])[n:16][c:17](-[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:18]2)[cH:11][cH:12]1.[Na+:29].[OH-:28]>>[F:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[c:14]([CH:26]=[O:27])[c:15]([CH3:25])[n:16][c:17](-[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:18]2)[cH:11][cH:12]1

Participants

10

Reactant 9

HCID 923Sodium ionHCID 961HydroxideHCID 3283Diethyl EtherHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 6386tert-ButanolHCID 8058HexaneHCID 8857Ethyl AcetateHCID 14460147HCID 14460147, compound

Product 1

HCID 21471359HCID 21471359, compound

Sources & evidence

ORD record
ord-adfde17ce4454e779230ab7abe94b6bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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