Ethanol → Sodium ion

HRID 1113510Notes

Reaction equation

HRID 1113510 reaction equation
[CH3:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[CH3:46][CH2:47][OH:48].[Na+:39].[OH-:38].[c:1]1(-[c:7]2[n:8][c:9]([C:18]3=[CH:23][CH2:22][CH2:21][CH2:20][CH:19]3[CH2:24][c:25]3[cH:26][c:27]([O:28][CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:35][cH:36][cH:37]3)[o:10][c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[Na+:39].[c:1]1(-[c:7]2[n:8][c:9]([C:18]3=[CH:23][CH2:22][CH2:21][CH2:20][CH:19]3[CH2:24][c:25]3[cH:26][c:27]([O:28][CH2:29][C:30](=[O:31])[O-:32])[cH:35][cH:36][cH:37]3)[o:10][c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 80711,2-DimethoxyethaneHCID 54289111Ethyl [3-[[2-(4,5-diphenyl-2-oxazolyl)-2-cyclohexen-1-yl]methyl]phenoxy]acetate

Product 2

HCID 923Sodium ionHCID 21697750Sodium; {3-[2-(4,5-diphenyl-oxazol-2-yl)-cyclohex-2-enylmethyl]-phenoxy}-acetate

Sources & evidence

ORD record
ord-39d071095843426a9d99eaf49fec32ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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