Ethanol → HCID 11180816, compound

HRID 1231573Notes

Reaction equation

HRID 1231573 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][N:18]([C:19]([c:20]3[cH:21][cH:22][c:23]([CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[cH:24][cH:25]3)=[O:32])[c:33]3[cH:34][c:35]4[c:36]([cH:44][cH:45]3)[O:37][C:38]([CH3:42])([CH3:43])[O:39][C:40]4=[O:41])[cH:46][cH:47]2)[cH:9][cH:10]1.[CH3:50][CH2:51][OH:52].[Na+:49].[OH-:48]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][N:18]([C:19]([c:20]3[cH:21][cH:22][c:23]([CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[cH:24][cH:25]3)=[O:32])[c:33]3[cH:34][c:35]([C:40](=[O:39])[OH:41])[c:36]([OH:37])[cH:44][cH:45]3)[cH:46][cH:47]2)[cH:9][cH:10]1

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 57841402HCID 57841402, compound

Product 1

HCID 11180816HCID 11180816, compound

Sources & evidence

ORD record
ord-b4d5175f7e1e44e4918a5dc34b864f7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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