Ethanol → Sodium ion

HRID 313482Notes

Reaction equation

HRID 313482 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5](-[c:13]2[n:14][c:15](-[c:18]3[c:19]4[cH:20][cH:21][n:22]([CH2:27][CH2:28][CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[c:23]4[cH:24][cH:25][cH:26]3)[n:16][o:17]2)[cH:6][cH:7][c:8]1[O:9][CH:10]([CH3:11])[CH3:12].[CH3:44][CH2:45][OH:46].[Na+:36].[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[OH-:35].[OH2:37]>>[C:1](#[N:2])[c:3]1[cH:4][c:5](-[c:13]2[n:14][c:15](-[c:18]3[c:19]4[cH:20][cH:21][n:22]([CH2:27][CH2:28][CH2:29][C:30](=[O:31])[O-:32])[c:23]4[cH:24][cH:25][cH:26]3)[n:16][o:17]2)[cH:6][cH:7][c:8]1[O:9][CH:10]([CH3:11])[CH3:12].[Na+:36]

Participants

8

Reactant 6

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 312751,4-DioxaneHCID 59318367Ethyl 4-[4-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1H-indol-1-yl]butanoate

Product 2

HCID 923Sodium ionHCID 593184024-[4-[5-(3-Cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoate

Sources & evidence

ORD record
ord-410fea19242b478f8db4972f44883da9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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