Ethanol → HCID 18341389, compound

HRID 136846Notes

Reaction equation

HRID 136846 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH2:10][CH:11]([C:12](=[O:13])[NH:14][CH:15]([C:16]([CH3:17])([CH3:18])[CH3:19])[C:20]([NH:21][CH3:22])=[O:23])[c:24]1[cH:25][n:26](-[c:29]2[cH:30][cH:31][c:32](-[c:35]3[cH:36][cH:37][c:38]([C:41]#[N:42])[cH:39][cH:40]3)[cH:33][cH:34]2)[cH:27][cH:28]1)=[O:43].[CH3:44][CH2:45][OH:46].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52]>>[O:8]=[C:9]([CH2:10][CH:11]([C:12](=[O:13])[NH:14][CH:15]([C:16]([CH3:17])([CH3:18])[CH3:19])[C:20]([NH:21][CH3:22])=[O:23])[c:24]1[cH:25][n:26](-[c:29]2[cH:30][cH:31][c:32](-[c:35]3[cH:36][cH:37][c:38]([C:41]#[N:42])[cH:39][cH:40]3)[cH:33][cH:34]2)[cH:27][cH:28]1)[OH:43]

Participants

4

Reactant 3

HCID 702EthanolHCID 8857Ethyl AcetateHCID 18341453HCID 18341453, compound

Product 1

HCID 18341389HCID 18341389, compound

Sources & evidence

ORD record
ord-fba7ad6668124fba85c0a0f58bc1377e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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