Acetic Acid → HCID 178486975, compound

HRID 174497Notes

Reaction equation

HRID 174497 reaction equation
[BH4-:47].[C:49]([OH:50])(=[O:51])[CH3:52].[CH3:53][CH2:54][OH:55].[Cl:56][CH:57]([Cl:58])[Cl:59].[Na+:48].[S:1](=[O:2])(=[O:3])([c:4]1[cH:5][cH:6][c:7]([CH3:8])[cH:9][cH:10]1)[O:11][CH2:12][C:13]1([CH2:35][O:36][S:37](=[O:38])(=[O:39])[c:40]2[cH:41][cH:42][c:43]([CH3:44])[cH:45][cH:46]2)[C:14](=[O:34])[CH:15]2[C:16]34[c:17]5[c:18]([c:19]([O:31][CH3:32])[cH:20][cH:21][c:22]5[CH2:23][CH:24]([CH:25]3[CH2:26]1)[N:27]([CH3:30])[CH2:28][CH2:29]4)[O:33]2>>[S:1](=[O:2])(=[O:3])([c:4]1[cH:5][cH:6][c:7]([CH3:8])[cH:9][cH:10]1)[O:11][CH2:12][C:13]1([CH2:35][O:36][S:37](=[O:38])(=[O:39])[c:40]2[cH:41][cH:42][c:43]([CH3:44])[cH:45][cH:46]2)[CH:14]([OH:34])[CH:15]2[C:16]34[c:17]5[c:18]([c:19]([O:31][CH3:32])[cH:20][cH:21][c:22]5[CH2:23][CH:24]([CH:25]3[CH2:26]1)[N:27]([CH3:30])[CH2:28][CH2:29]4)[O:33]2

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 6212ChloroformHCID 28123BorohydrideHCID 178486974HCID 178486974, compound

Product 1

HCID 178486975HCID 178486975, compound

Sources & evidence

ORD record
ord-2289b103ac504ae4838f20802bed70e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…