Dimethyl Sulfoxide → HCID 86605112, compound

HRID 663659Notes

Reaction equation

HRID 663659 reaction equation
[CH2:33]1[CH2:34][O:35][CH2:36][CH2:37][NH:38]1.[CH3:39][S:40]([CH3:41])=[O:42].[CH3:48][N:49]([CH3:50])[C:51](=[O:52])[CH3:53].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[Cl:1][c:2]1[cH:3][c:4]([C:29]([F:30])([F:31])[F:32])[c:5](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([NH:18][c:19]4[n:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]4)[cH:13][cH:14][n:15][c:16]3[n:17]2)[n:6][n:7]1.[Na+:47].[O-:43][C:44]([OH:45])=[O:46]>>[c:2]1([N:38]2[CH2:33][CH2:34][O:35][CH2:36][CH2:37]2)[cH:3][c:4]([C:29]([F:30])([F:31])[F:32])[c:5](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([NH:18][c:19]4[n:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]4)[cH:13][cH:14][n:15][c:16]3[n:17]2)[n:6][n:7]1

Participants

8

Reactant 7

HCID 679Dimethyl SulfoxideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8083MorpholineHCID 8857Ethyl AcetateHCID 31374DimethylacetamideHCID 86605110HCID 86605110, compound

Product 1

HCID 86605112HCID 86605112, compound

Sources & evidence

ORD record
ord-c8085382ad0c4ccb84b28beeca64a009
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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