Dimethyl Sulfoxide → HCID 68778085, compound

HRID 1118486Notes

Reaction equation

HRID 1118486 reaction equation
[CH3:48][S:49](=[O:50])[CH3:51].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[OH2:47].[c:21]1(-[c:27]2[n:28][s:29][c:30]([N:32]3[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]3)[n:31]2)[cH:22][cH:23][cH:24][cH:25][cH:26]1.[n:1]1[cH:2][c:3](-[c:7]2[n:8][n:9][c:10]([NH:12][C:13]([O:14][CH2:15][C:16]([Cl:17])([Cl:18])[Cl:19])=[O:20])[o:11]2)[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3](-[c:7]2[n:8][n:9][c:10]([NH:12][C:13](=[O:20])[N:35]3[CH2:34][CH2:33][N:32]([c:30]4[s:29][n:28][c:27](-[c:21]5[cH:22][cH:23][cH:24][cH:25][cH:26]5)[n:31]4)[CH2:37][CH2:36]3)[o:11]2)[cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 81531DiisopropylethylamineHCID 27777601-(3-Phenyl-(1,2,4)thiadiazol-5-yl)-piperazineHCID 86625479HCID 86625479, compound

Product 1

HCID 68778085HCID 68778085, compound

Sources & evidence

ORD record
ord-e4955c740d1646da9d5f4280f03689cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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