Dimethyl Sulfoxide → Chloride

HRID 1537108Notes

Reaction equation

HRID 1537108 reaction equation
[CH3:37][S:38]([CH3:39])=[O:40].[Cl:26][CH2:27][C:28](=[O:29])[NH:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[N:1]12[CH2:2][CH:3]([O:9][C:10]([C:11]([c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)([c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[OH:24])=[O:25])[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2>>[Cl-:26].[N+:1]12([CH2:27][C:28](=[O:29])[NH:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[CH2:2][CH:3]([O:9][C:10]([C:11]([c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)([c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[OH:24])=[O:25])[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2

Participants

5

Reactant 3

HCID 679Dimethyl SulfoxideHCID 11485ChloroacetanilideHCID 230563-Quinuclidinyl benzilate

Product 2

HCID 312ChlorideHCID 11294363[1-(2-Anilino-2-oxoethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate

Sources & evidence

ORD record
ord-36bbb4ca9fc249d3a5fcb7dbba72792f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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