Ethanol → HCID 44227315, compound

HRID 2146722Notes

Reaction equation

HRID 2146722 reaction equation
[CH2:40]([OH:41])[CH3:42].[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[CH3:49][CH2:50][OH:51].[CH:1]1([CH2:4][O:5][c:6]2[cH:7][cH:8][c:9]3[c:10]([c:11]([CH3:36])[c:12]([CH:14]([CH:15]([CH3:16])[CH3:17])[NH:18][c:19]4[cH:20][cH:21][c:22]([C:25](=[O:26])[N:27]([CH2:28][CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[CH3:35])[cH:23][cH:24]4)[o:13]3)[cH:37]2)[CH2:2][CH2:3]1.[Na+:39].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH-:38]>>[CH:1]1([CH2:4][O:5][c:6]2[cH:7][cH:8][c:9]3[c:10]([c:11]([CH3:36])[c:12]([CH:14]([CH:15]([CH3:16])[CH3:17])[NH:18][c:19]4[cH:20][cH:21][c:22]([C:25](=[O:26])[N:27]([CH2:28][CH2:29][C:30](=[O:31])[OH:32])[CH3:35])[cH:23][cH:24]4)[o:13]3)[cH:37]2)[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 702Ethanol2×HCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 8058HexaneHCID 66777593HCID 66777593, compound

Product 1

HCID 44227315HCID 44227315, compound

Sources & evidence

ORD record
ord-3b77fd71063a4025a952274a26330623
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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