Ethanol → HCID 53354718, compound

HRID 2133418Notes

Reaction equation

HRID 2133418 reaction equation
[CH3:38][CH2:39][OH:40].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][c:6]([CH2:7][O:8][c:9]2[c:10]3[c:14]([cH:15][cH:16][cH:17]2)[C:13](=[O:18])[N:12]([CH:19]2[C:20](=[O:26])[NH:21][C:22](=[O:25])[CH2:23][CH2:24]2)[CH2:11]3)[cH:27][cH:28][cH:29]1.[Na+:36].[Na+:37].[OH2:41].[S:30]([S:31]([O-:32])=[O:33])([O-:34])=[O:35]>>[NH2:1][c:4]1[cH:5][c:6]([CH2:7][O:8][c:9]2[c:10]3[c:14]([cH:15][cH:16][cH:17]2)[C:13](=[O:18])[N:12]([CH:19]2[C:20](=[O:26])[NH:21][C:22](=[O:25])[CH2:23][CH2:24]2)[CH2:11]3)[cH:27][cH:28][cH:29]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1086DithioniteHCID 53354620HCID 53354620, compound

Product 1

HCID 53354718HCID 53354718, compound

Sources & evidence

ORD record
ord-9e33f50362ae48a7a27df2c43b82d275
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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