Ethanol → Sodium ion

HRID 1132519Notes

Reaction equation

HRID 1132519 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][C:29](=[O:30])[O:31][CH2:32][CH3:33])[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].[CH3:37][CH2:38][OH:39].[Na+:35].[OH-:34].[OH2:36]>>[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][C:29](=[O:30])[O-:31])[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+:35]

Participants

7

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 59318416Ethyl 3-[4-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1H-indol-1-yl]propanoate

Product 2

HCID 923Sodium ionHCID 593183583-[4-[5-(3-Cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoate

Sources & evidence

ORD record
ord-4b16a4398ef3453fb8e08fddb4c70843
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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