1,4-Dioxane → (4-Chloro-6-{N'-[1-(4-trifluoromethoxyphenyl)-methylidene]-hydrazino}-[1,3,5]triazin-2-yl)-(4-fluoro-3-trifluoromethylphenyl)-amine

HRID 1117304Notes

Reaction equation

HRID 1117304 reaction equation
[CH:21]([N:22]([CH:23]([CH3:24])[CH3:25])[CH2:26][CH3:27])([CH3:28])[CH3:29].[Cl:1][c:2]1[n:3][c:4]([NH:9][c:10]2[cH:11][c:12]([C:17]([F:18])([F:19])[F:20])[c:13]([F:16])[cH:14][cH:15]2)[n:5][c:6]([Cl:8])[n:7]1.[F:30][C:31]([O:32][c:33]1[cH:34][cH:35][c:36]([CH:39]=[N:40][NH2:41])[cH:37][cH:38]1)([F:42])[F:43].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1>>[c:2]1([NH:41][N:40]=[CH:39][c:36]2[cH:35][cH:34][c:33]([O:32][C:31]([F:30])([F:42])[F:43])[cH:38][cH:37]2)[n:3][c:4]([NH:9][c:10]2[cH:11][c:12]([C:17]([F:18])([F:19])[F:20])[c:13]([F:16])[cH:14][cH:15]2)[n:5][c:6]([Cl:8])[n:7]1

Participants

5

Reactant 4

HCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 57507188(4,6-Dichloro-[1,3,5]triazin-2-yl)-(4-fluoro-3-trifluoromethylphenyl)amineHCID 66679788[1-(4-Trifluoromethoxyphenyl)-methylidene]-hydrazine

Product 1

HCID 76550911(4-Chloro-6-{N'-[1-(4-trifluoromethoxyphenyl)-methylidene]-hydrazino}-[1,3,5]triazin-2-yl)-(4-fluoro-3-trifluoromethylphenyl)-amine

Sources & evidence

ORD record
ord-55669ce60dc74c00b979f0a5a1c7ad15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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