Dimethyl Sulfoxide → HCID 22048415, compound

HRID 1570237Notes

Reaction equation

HRID 1570237 reaction equation
[C:38]([O:39][CH2:40][CH3:41])(=[O:42])[CH3:43].[CH3:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].[CH3:44][S:45]([CH3:46])=[O:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH:1]([CH3:2])([CH2:3][CH3:4])[O:5][c:6]1[cH:7][c:8]([CH2:9][c:10]2[n:11][cH:12][c:13]([CH2:24][Cl:25])[c:14]3[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][c:19]23)[cH:26][cH:27][cH:28]1.[Na:29][C:30]#[N:31].[OH2:54]>>[CH:1]([CH3:2])([CH2:3][CH3:4])[O:5][c:6]1[cH:7][c:8]([CH2:9][c:10]2[n:11][cH:12][c:13]([CH2:24][C:30]#[N:31])[c:14]3[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][c:19]23)[cH:26][cH:27][cH:28]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 8058HexaneHCID 8857Ethyl Acetate2×HCID 22048335HCID 22048335, compoundHCID 178511850HCID 178511850, compound

Product 1

HCID 22048415HCID 22048415, compound

Sources & evidence

ORD record
ord-f47f45c68ee546dc8fe69163985026a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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