Dimethyl Sulfoxide → HCID 178434704, compound

HRID 2141532Notes

Reaction equation

HRID 2141532 reaction equation
[C:40](=[O:41])([O-:42])[OH:43].[CH3:46][S:47](=[O:48])[CH3:49].[Cl:5][CH2:6][C:7]#[C:8][CH2:9][N:10]1[CH:11]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH:12]([O:16][CH2:17][c:18]2[cH:19][c:20](-[n:28]3[n:29][n:30][n:31][c:32]3[CH3:33])[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]2)[CH2:13][CH2:14][CH2:15]1.[N-:2]=[N+:3]=[N-:4].[Na+:1].[Na+:44].[OH2:45]>>[N:2](=[N+:3]=[N-:4])[CH2:6][C:7]#[C:8][CH2:9][N:10]1[CH:11]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH:12]([O:16][CH2:17][c:18]2[cH:19][c:20](-[n:28]3[n:29][n:30][n:31][c:32]3[CH3:33])[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]2)[CH2:13][CH2:14][CH2:15]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 33558AzideHCID 189421541-(4-Chlorobut-2-ynyl)-3-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine

Product 1

HCID 178434704HCID 178434704, compound

Sources & evidence

ORD record
ord-a3d2d8c8702f4bb1b24da57eba232104
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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