Dimethyl Sulfoxide → HCID 178462669, compound

HRID 195985Notes

Reaction equation

HRID 195985 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[CH3:41][S:42]([CH3:43])=[O:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cs+:39].[Cs+:40].[F:1][c:2]1[c:3]([C:8]2([CH2:12][n:13]3[n:14][cH:15][n:16][cH:17]3)[O:9][CH:10]2[CH3:11])[cH:4][cH:5][cH:6][cH:7]1.[OH2:51].[n:18]1(-[c:23]2[cH:24][cH:25][c:26](-[n:29]3[c:30](=[O:34])[nH:31][cH:32][cH:33]3)[cH:27][cH:28]2)[n:19][cH:20][n:21][cH:22]1>>[F:1][c:2]1[c:3]([C:8]([OH:9])([CH:10]([CH3:11])[n:31]2[c:30](=[O:34])[n:29](-[c:26]3[cH:25][cH:24][c:23](-[n:18]4[n:19][cH:20][n:21][cH:22]4)[cH:28][cH:27]3)[cH:33][cH:32]2)[CH2:12][n:13]2[n:14][cH:15][n:16][cH:17]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 106330471-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-(1H,3H)-imidazoloneHCID 224628411-[[2-(2-Fluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole

Product 1

HCID 178462669HCID 178462669, compound

Sources & evidence

ORD record
ord-a42eac5570184ac29a17e38cc913f9d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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