1,4-Dioxane → HCID 23114687, compound

HRID 2339253Notes

Reaction equation

HRID 2339253 reaction equation
[CH2:35]1[O:36][CH2:37][CH2:38][O:39][CH2:40]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:25])[c:6]([CH:8]([c:9]2[c:10]([F:16])[cH:11][cH:12][c:13]([F:15])[cH:14]2)[S:17][c:18]2[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]2)[cH:7]1.[n:26]1[c:27]([CH2:32][CH2:33][NH2:34])[cH:28][cH:29][cH:30][cH:31]1>>[c:2]1([NH:34][CH2:33][CH2:32][c:27]2[n:26][cH:31][cH:30][cH:29][cH:28]2)[n:3][cH:4][c:5]([Cl:25])[c:6]([CH:8]([c:9]2[c:10]([F:16])[cH:11][cH:12][c:13]([F:15])[cH:14]2)[S:17][c:18]2[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]2)[cH:7]1

Participants

4

Reactant 3

HCID 312751,4-DioxaneHCID 759192-PyridineethanamineHCID 231145672,5-Dichloro-4-[(4-chlorophenylthio)-(2,5-difluorophenyl)methyl]pyridine

Product 1

HCID 23114687HCID 23114687, compound

Sources & evidence

ORD record
ord-36ef51c150ab42d2930f30a901034386
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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