Dimethyl Sulfoxide → HCID 178489546, compound

HRID 2326340Notes

Reaction equation

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([O:48][CH2:49][CH:50]([CH2:51][OH:63])[O:53][S:52]([c:54]2[cH:55][cH:56][c:57]([CH3:58])[cH:59][cH:60]2)(=[O:61])=[O:62])[CH:11]([c:28]2[cH:29][cH:30][c:31]([O:34][CH2:35][CH2:36][CH2:37][O:38][CH2:39][c:40]3[c:41]([O:46][CH3:47])[cH:42][cH:43][cH:44][cH:45]3)[cH:32][cH:33]2)[CH:12]([O:14][CH2:15][c:16]2[cH:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[c:24]([O:26][CH3:27])[cH:25]2)[CH2:13]1.[CH3:66][S:67]([CH3:68])=[O:69].[Na+:65].[OH-:64]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([O:48][CH2:49][CH:50]2[CH2:51][O:53]2)[CH:11]([c:28]2[cH:29][cH:30][c:31]([O:34][CH2:35][CH2:36][CH2:37][O:38][CH2:39][c:40]3[c:41]([O:46][CH3:47])[cH:42][cH:43][cH:44][cH:45]3)[cH:32][cH:33]2)[CH:12]([O:14][CH2:15][c:16]2[cH:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[c:24]([O:26][CH3:27])[cH:25]2)[CH2:13]1

Participants

Reactant 4

HCID 679Dimethyl Sulfoxide

HCID 923Sodium ion

HCID 961Hydroxide

HCID 178489547tert-butyl 3-[3-hydroxy-2-(4-methylphenyl)sulfonyloxypropoxy]-5-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate

Product 1

HCID 178489546HCID 178489546, compound

Sources & evidence

ORD record: ord-0430e3a2723d4dfc8f2f9a71e31f8359
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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