Ethanol → HCID 178471094, compound

HRID 1550671Notes

Reaction equation

HRID 1550671 reaction equation
[C:40](=[O:41])([OH:42])[O-:43].[CH3:45][CH2:46][OH:47].[CH:1]([O:2][CH2:3][CH3:4])([O:5][CH2:6][CH3:7])[O:8][CH2:9][CH3:10].[CH:23](=[O:24])[C:25]1([CH:28]([C:29]#[N:30])[NH:31][CH:32]([CH3:33])[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH2:26][CH2:27]1.[Na+:44].[OH2:11].[c:12]1([CH3:13])[cH:14][cH:15][c:16]([S:17]([OH:18])(=[O:19])=[O:20])[cH:21][cH:22]1>>[CH:1]([O:5][CH2:6][CH3:7])([O:8][CH2:9][CH3:10])[C:25]1([CH:28]([C:29]#[N:30])[NH:31][CH:32]([CH3:33])[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH2:26][CH2:27]1

Participants

8

Reactant 7

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 31214Ethyl orthoformateHCID 178464400HCID 178464400, compound

Product 1

HCID 178471094HCID 178471094, compound

Sources & evidence

ORD record
ord-9f2a6606d4f64b7baf579c66b669e7a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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