Dimethyl Sulfoxide → HCID 68780967, compound

HRID 151785Notes

Reaction equation

HRID 151785 reaction equation
[CH3:47][S:48](=[O:49])[CH3:50].[CH:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])([CH3:44])[CH3:45].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7][c:8]([NH:10][C:11]([O:12][CH2:13][C:14]([Cl:15])([Cl:16])[Cl:17])=[O:18])[o:9]2)[cH:19]1.[OH2:46].[c:20]1(-[c:26]2[n:27][s:28][c:29]([N:31]3[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]3)[n:30]2)[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7][c:8]([NH:10][C:11](=[O:18])[N:34]3[CH2:33][CH2:32][N:31]([c:29]4[s:28][n:27][c:26](-[c:20]5[cH:21][cH:22][cH:23][cH:24][cH:25]5)[n:30]4)[CH2:36][CH2:35]3)[o:9]2)[cH:19]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 81531DiisopropylethylamineHCID 27777601-(3-Phenyl-(1,2,4)thiadiazol-5-yl)-piperazineHCID 86245203HCID 86245203, compound

Product 1

HCID 68780967HCID 68780967, compound

Sources & evidence

ORD record
ord-30e5e01fa5bd41268c77c9d9a43070a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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