Ethanol → Almokalant

HRID 155238Notes

Reaction equation

HRID 155238 reaction equation
[CH2:1]([CH3:2])[N:3]([CH2:4][CH:5]([CH2:6][O:7][c:8]1[cH:9][cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15]1)[OH:16])[CH2:17][CH2:18][CH2:19][S:20][CH2:21][CH2:22][CH3:23].[CH3:46][CH2:47][OH:48].[Cl:35][c:36]1[cH:37][cH:38][cH:39][c:40]([C:41]([O:42][OH:43])=[O:44])[cH:45]1.[c:24]1([CH3:25])[cH:26][cH:27][c:28]([S:29]([OH:30])(=[O:31])=[O:32])[cH:33][cH:34]1>>[CH2:1]([CH3:2])[N:3]([CH2:4][CH:5]([CH2:6][O:7][c:8]1[cH:9][cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15]1)[OH:16])[CH2:17][CH2:18][CH2:19][S:20]([CH2:21][CH2:22][CH3:23])=[O:31]

Participants

5

Reactant 4

HCID 702EthanolHCID 6101p-Toluenesulfonic acidHCID 70297m-Chloroperbenzoic acidHCID 150668434-(3-{Ethyl[3-(propylsulfanyl)propyl]amino}-2-hydroxypropoxy)benzonitrile

Product 1

HCID 3033962Almokalant

Sources & evidence

ORD record
ord-c56484c021a3497b95b31b8231e1a3bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…