Ethanol → HCID 178439928, compound

HRID 307306Notes

Reaction equation

HRID 307306 reaction equation
[CH2:1]([CH2:2][CH3:3])[c:4]1[n:5][c:6]2[c:7]([n:8]1[CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]3[c:17]([C:22](=[O:23])[O:24][CH3:25])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[cH:26][c:27]([NH:31][C:32](=[N:33][C:34]#[N:35])[N:36]([CH3:37])[CH2:38][CH2:39][OH:40])[cH:28][c:29]2[CH3:30].[CH3:43][CH2:44][OH:45].[Na+:42].[OH-:41]>>[CH2:1]([CH2:2][CH3:3])[c:4]1[n:5][c:6]2[c:7]([n:8]1[CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]3[c:17]([C:22](=[O:23])[OH:24])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[cH:26][c:27]([NH:31][C:32](=[N:33][C:34]#[N:35])[N:36]([CH3:37])[CH2:38][CH2:39][OH:40])[cH:28][c:29]2[CH3:30]

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 178439929HCID 178439929, compound

Product 1

HCID 178439928HCID 178439928, compound

Sources & evidence

ORD record
ord-bad55bed92894e1db6c41c4a9feb95cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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