Ethanol → HCID 66657785, compound

HRID 212451Notes

Reaction equation

HRID 212451 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH2:36][C:37](=[O:38])[O:39][CH2:40][CH3:41])[n:8](-[c:26]2[cH:27][cH:28][c:29]([O:32][CH:33]([CH3:34])[CH3:35])[cH:30][cH:31]2)[c:9]2[cH:10][cH:11][c:12]([O:15][c:16]3[n:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]3)[cH:13][c:14]12.[CH3:44][CH2:45][OH:46].[Na+:43].[OH-:42].[OH2:47]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH2:36][C:37](=[O:38])[OH:39])[n:8](-[c:26]2[cH:27][cH:28][c:29]([O:32][CH:33]([CH3:34])[CH3:35])[cH:30][cH:31]2)[c:9]2[cH:10][cH:11][c:12]([O:15][c:16]3[n:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]3)[cH:13][c:14]12

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 66657631HCID 66657631, compound

Product 1

HCID 66657785HCID 66657785, compound

Sources & evidence

ORD record
ord-a22e3dd25d32452894800adbe09f88a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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