1,4-Dioxane → 4-[[4-[2,6-Dichloro-4-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]benzonitrile

HRID 116309Notes

Reaction equation

HRID 116309 reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][O:41][CH2:42]1.[Cl:24][c:25]1[c:26]([NH2:36])[c:27]([Cl:35])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]1.[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[n:8][c:9]([NH:13][c:14]2[cH:15][cH:16][c:17]([C:20]#[N:21])[cH:18][cH:19]2)[n:10][cH:11][cH:12]1)(=[O:22])=[O:23]>>[c:7]1([NH:36][c:26]2[c:25]([Cl:24])[cH:30][c:29]([C:31]([F:32])([F:33])[F:34])[cH:28][c:27]2[Cl:35])[n:8][c:9]([NH:13][c:14]2[cH:15][cH:16][c:17]([C:20]#[N:21])[cH:18][cH:19]2)[n:10][cH:11][cH:12]1

Participants

4

Reactant 3

HCID 312751,4-DioxaneHCID 1410944-Amino-3,5-dichlorobenzotrifluorideHCID 223984512-[(4-Cyanophenyl)amino]4-pyrimidinyl trifluoromethanesulfonate

Product 1

HCID 4887744-[[4-[2,6-Dichloro-4-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]benzonitrile

Sources & evidence

ORD record
ord-c636f793ee6344ed9131095874861d0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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