Ethanol → HCID 10530330, compound

HRID 165425Notes

Reaction equation

HRID 165425 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH2:6][N:7]1[C:8](=[O:42])[CH2:9][CH2:10][N:11]([C:18]([c:19]2[cH:20][cH:21][c:22]([NH:25][C:26]([c:27]3[c:28](-[c:33]4[cH:34][cH:35][c:36]([CH3:39])[cH:37][cH:38]4)[cH:29][cH:30][cH:31][cH:32]3)=[O:40])[cH:23][cH:24]2)=[O:41])[c:12]2[c:13]1[cH:14][cH:15][cH:16][cH:17]2.[CH3:45][CH2:46][OH:47].[CH3:55][CH2:56][O:57][CH2:58][CH3:59].[CH:48]([O:49][CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[Na+:44].[OH-:43]>>[O:3]=[C:4]([OH:5])[CH2:6][N:7]1[C:8](=[O:42])[CH2:9][CH2:10][N:11]([C:18]([c:19]2[cH:20][cH:21][c:22]([NH:25][C:26]([c:27]3[c:28](-[c:33]4[cH:34][cH:35][c:36]([CH3:39])[cH:37][cH:38]4)[cH:29][cH:30][cH:31][cH:32]3)=[O:40])[cH:23][cH:24]2)=[O:41])[c:12]2[c:13]1[cH:14][cH:15][cH:16][cH:17]2

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 3283Diethyl EtherHCID 7914Diisopropyl EtherHCID 10816720HCID 10816720, compound

Product 1

HCID 10530330HCID 10530330, compound

Sources & evidence

ORD record
ord-4e6269c3649c48909463c7fc42f1bfd2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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