Ethanol → HCID 23282955, compound

HRID 142027Notes

Reaction equation

HRID 142027 reaction equation
[BH4-:39].[CH3:58][CH2:59][OH:60].[CH:1]1([CH2:9][N:10]2[CH2:11][CH2:12][CH:13]([NH:16][C:17](=[O:18])[CH:19]3[c:20]4[cH:21][c:22]([C:35](=[O:36])[O:37][CH3:38])[cH:23][cH:24][c:25]4[O:26][c:27]4[cH:28][cH:29][c:30]([CH:33]=[O:34])[cH:31][c:32]43)[CH2:14][CH2:15]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1.[Na+:40].[Na+:56].[Na+:57].[OH2:41].[OH2:42].[OH2:43].[OH2:44].[OH2:45].[OH2:46].[OH2:47].[OH2:48].[OH2:49].[OH2:50].[S:51]([O-:52])([O-:53])(=[O:54])=[O:55]>>[CH:1]1([CH2:9][N:10]2[CH2:11][CH2:12][CH:13]([NH:16][C:17](=[O:18])[CH:19]3[c:20]4[cH:21][c:22]([C:35](=[O:36])[O:37][CH3:38])[cH:23][cH:24][c:25]4[O:26][c:27]4[cH:28][cH:29][c:30]([CH2:33][OH:34])[cH:31][c:32]43)[CH2:14][CH2:15]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ion3×HCID 962Water10×HCID 1117Sulfate IonHCID 28123BorohydrideHCID 23283010HCID 23283010, compound

Product 1

HCID 23282955HCID 23282955, compound

Sources & evidence

ORD record
ord-fa8f256a4df94cfd925e24837bbee82f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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