1,4-Dioxane → HCID 178448997, compound

HRID 687468Notes

Reaction equation

HRID 687468 reaction equation
[CH2:54]1[O:55][CH2:56][CH2:57][O:58][CH2:59]1.[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:28][c:29]1[n:30][cH:31][c:32]([C:35]([C:36]([F:37])([F:38])[F:39])([C:40]([F:41])([F:42])[F:43])[OH:44])[cH:33][n:34]1.[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([S:9](=[O:10])(=[O:11])[N:12]2[CH2:13][CH:14]([CH2:18][N:19]([S:20](=[O:21])(=[O:22])[CH3:23])[CH2:24][CH:25]([CH3:26])[CH3:27])[NH:15][CH2:16][CH2:17]2)[s:8]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([S:9](=[O:10])(=[O:11])[N:12]2[CH2:13][CH:14]([CH2:18][N:19]([S:20](=[O:21])(=[O:22])[CH3:23])[CH2:24][CH:25]([CH3:26])[CH3:27])[N:15]([c:29]3[n:30][cH:31][c:32]([C:35]([C:36]([F:37])([F:38])[F:39])([C:40]([F:41])([F:42])[F:43])[OH:44])[cH:33][n:34]3)[CH2:16][CH2:17]2)[s:8]1

Participants

5

Reactant 4

HCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 866703482-(2-Chloropyrimidin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-olHCID 178448998HCID 178448998, compound

Product 1

HCID 178448997HCID 178448997, compound

Sources & evidence

ORD record
ord-987ab14b601a41daa5b966f34ae7a0dd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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