Ethanol → Sodium ion

HRID 666699Notes

Reaction equation

HRID 666699 reaction equation
[CH3:39][CH2:40][OH:41].[Cl:1][c:2]1[cH:3][n:4]([CH2:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[c:5]2[cH:6][cH:7][c:8](-[c:11]3[n:12][o:13][c:14](-[c:16]4[cH:17][c:18](-[c:24]5[cH:25][cH:26][cH:27][cH:28][cH:29]5)[c:19]([O:22][CH3:23])[cH:20][cH:21]4)[n:15]3)[cH:9][c:10]12.[Na+:38].[OH-:37]>>[Cl:1][c:2]1[cH:3][n:4]([CH2:30][CH2:31][C:32](=[O:33])[O-:34])[c:5]2[cH:6][cH:7][c:8](-[c:11]3[n:12][o:13][c:14](-[c:16]4[cH:17][c:18](-[c:24]5[cH:25][cH:26][cH:27][cH:28][cH:29]5)[c:19]([O:22][CH3:23])[cH:20][cH:21]4)[n:15]3)[cH:9][c:10]12.[Na+:38]

Participants

6

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 59318433Ethyl 3-(3-chloro-5-{5-[6-(methyloxy)-3-biphenylyl]-1,2,4-oxadiazol-3-yl}-1H-indol-1-yl)propanoate

Product 2

HCID 923Sodium ionHCID 593183993-[3-Chloro-5-[5-(4-methoxy-3-phenylphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoate

Sources & evidence

ORD record
ord-302fcfa15c94477ab00846845971b187
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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