Ethanol → HCID 178429250, compound

HRID 124509Notes

Reaction equation

HRID 124509 reaction equation
[BH4-:80].[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][cH:7][c:8]2[c:9]1[c:10]([CH3:39])[c:11]([C:13](=[O:14])[NH:15][c:16]1[cH:17][cH:18][c:19](-[c:22]3[cH:23][cH:24][c:25]([S:28](=[O:29])(=[O:30])[NH:31][CH:32]([CH:33]([CH3:34])[CH3:35])[C:36](=[O:37])[OH:38])[cH:26][cH:27]3)[cH:20][cH:21]1)[o:12]2.[C:40]([c:41]1[c:42]2[c:43]([CH3:44])[c:45]([C:46]([NH:47][c:48]3[cH:49][cH:50][c:51](-[c:52]4[cH:53][cH:54][c:55]([S:56]([NH:57][CH:58]([C:59]([O:60][CH3:61])=[O:62])[CH:63]([CH3:64])[CH3:65])(=[O:66])=[O:67])[cH:68][cH:69]4)[cH:70][cH:71]3)=[O:72])[o:73][c:74]2[cH:75][cH:76][cH:77]1)(=[O:78])[CH3:79].[CH3:82][CH2:83][OH:84].[Na+:81]>>[CH:1]([CH3:2])([OH:3])[c:4]1[cH:5][cH:6][cH:7][c:8]2[c:9]1[c:10]([CH3:39])[c:11]([C:13](=[O:14])[NH:15][c:16]1[cH:17][cH:18][c:19](-[c:22]3[cH:23][cH:24][c:25]([S:28](=[O:29])(=[O:30])[NH:31][CH:32]([CH:33]([CH3:34])[CH3:35])[C:36](=[O:37])[OH:38])[cH:26][cH:27]3)[cH:20][cH:21]1)[o:12]2

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 28123BorohydrideHCID 178466159HCID 178466159, compoundHCID 178501744HCID 178501744, compound

Product 1

HCID 178429250HCID 178429250, compound

Sources & evidence

ORD record
ord-3a27b932ce7c4cc1afe001724ea541f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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