1,4-Dioxane → 1-(3-(4-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazine-1-carbonyl)phenyl)-3-(pyridin-4-yl)urea

HRID 209859Notes

Reaction equation

HRID 209859 reaction equation
[NH2:17][c:18]1[cH:19][c:20]([C:24](=[O:25])[N:26]2[CH2:27][CH2:28][N:29]([CH2:32][c:33]3[cH:34][cH:35][c:36]([C:39]([C:40]([F:41])([F:42])[F:43])([C:44]([F:45])([F:46])[F:47])[OH:48])[cH:37][cH:38]3)[CH2:30][CH2:31]2)[cH:21][cH:22][cH:23]1.[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[n:1]1[cH:2][cH:3][c:4]([NH:7][C:8]([O:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)=[O:16])[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4]([NH:7][C:8](=[O:16])[NH:17][c:18]2[cH:19][c:20]([C:24](=[O:25])[N:26]3[CH2:27][CH2:28][N:29]([CH2:32][c:33]4[cH:34][cH:35][c:36]([C:39]([C:40]([F:41])([F:42])[F:43])([C:44]([F:45])([F:46])[F:47])[OH:48])[cH:37][cH:38]4)[CH2:30][CH2:31]3)[cH:21][cH:22][cH:23]2)[cH:5][cH:6]1

Participants

4

Reactant 3

HCID 312751,4-DioxaneHCID 11401617Carbamic acid, 4-pyridinyl-, phenyl esterHCID 86638579(3-Aminophenyl)(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazin-1-yl)methanone

Product 1

HCID 591759031-(3-(4-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazine-1-carbonyl)phenyl)-3-(pyridin-4-yl)urea

Sources & evidence

ORD record
ord-45eef22df1ac4338b8eeec3346c06bc4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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