Chloride → HCID 22048465, compound

HRID 309934Notes

Reaction equation

HRID 309934 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5](-[c:13]3[cH:14][c:15]([Cl:19])[cH:16][cH:17][cH:18]3)[cH:6][c:7](=[O:12])[nH:8][c:9]2[cH:10][cH:11]1.[CH2:29]([N+:30]([CH2:31][CH3:32])([CH2:33][CH3:34])[CH2:35][CH3:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:22][CH2:23][O:24][C:25]([CH3:26])=[O:27].[Cl-:28].[I:20][CH3:21].[Na+:44].[OH-:43]>>[Br:1][c:2]1[cH:3][c:4]2[c:5](-[c:13]3[cH:14][c:15]([Cl:19])[cH:16][cH:17][cH:18]3)[cH:6][c:7](=[O:12])[n:8]([CH3:22])[c:9]2[cH:10][cH:11]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 923Sodium ionHCID 961HydroxideHCID 6328Methyl iodideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 17208BenzyltriethylammoniumHCID 12016671HCID 12016671, compound

Product 1

HCID 22048465HCID 22048465, compound

Sources & evidence

ORD record
ord-b64c97feb37c4189b0ce1ddf05879fc6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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