Ethanol → HCID 67164051, compound

HRID 1563017Notes

Reaction equation

HRID 1563017 reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH:9]2[CH:10]([CH2:24][O:25][C:26]([c:27]3[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]3)=[O:34])[O:11][CH:12]([n:14]3[cH:15][cH:16][c:17]4[c:18]3[n:19][cH:20][n:21][c:22]4[Cl:23])[CH2:13]2)[cH:35][cH:36]1.[CH3:44][CH2:45][OH:46].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[H:42][H:43].[Na+:41].[O-:37][C:38]([OH:39])=[O:40]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH:9]2[CH:10]([CH2:24][O:25][C:26]([c:27]3[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]3)=[O:34])[O:11][CH:12]([n:14]3[cH:15][cH:16][c:17]4[c:18]3[n:19][cH:20][n:21][cH:22]4)[CH2:13]2)[cH:35][cH:36]1

Participants

7

Reactant 6

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 15612837HCID 15612837, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 67164051HCID 67164051, compound

Sources & evidence

ORD record
ord-96a17a55176d4d85a5816f82e643813d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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