Ethanol → HCID 178508666, compound

HRID 312080Notes

Reaction equation

HRID 312080 reaction equation
[CH3:17][C:18]1([CH3:19])[C:20]([CH3:21])([CH3:22])[O:23][B:24]([c:25]2[c:26]([CH2:31][CH2:32][C:33](=[O:34])[OH:35])[cH:27][cH:28][cH:29][cH:30]2)[O:36]1.[CH3:43][CH2:44][OH:45].[CH3:46][OH:47].[CH3:48][O:49][CH2:50][CH2:51][O:52][CH3:53].[I:1][c:2]1[c:3]2[c:4]([c:5]3[c:6]([NH2:13])[n:7][c:8]([NH2:12])[n:9][c:10]3[cH:11]1)[cH:14][cH:15][nH:16]2.[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42]>>[c:2]1(-[c:25]2[c:26]([CH2:31][CH2:32][C:33](=[O:34])[OH:35])[cH:27][cH:28][cH:29][cH:30]2)[c:3]2[c:4]([c:5]3[c:6]([NH2:13])[n:7][c:8]([NH2:12])[n:9][c:10]3[cH:11]1)[cH:14][cH:15][nH:16]2

Participants

8

Reactant 7

HCID 702EthanolHCID 887MethanolHCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 66836784HCID 66836784, compoundHCID 178508676HCID 178508676, compound

Product 1

HCID 178508666HCID 178508666, compound

Sources & evidence

ORD record
ord-297366df4afb4dac871867b14e8c19d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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