1,4-Dioxane → 1-(4-(4-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazine-1-carbonyl)-2-(trifluoromethoxy)phenyl)-3-(pyridin-4-yl)urea
Reaction equation
[NH2:1][c:2]1[c:3]([O:33][C:34]([F:35])([F:36])[F:37])[cH:4][c:5]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][N:13]([CH2:16][c:17]3[cH:18][cH:19][c:20]([C:23]([C:24]([F:25])([F:26])[F:27])([C:28]([F:29])([F:30])[F:31])[OH:32])[cH:21][cH:22]3)[CH2:14][CH2:15]2)[cH:6][cH:7]1.[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[n:38]1[cH:39][cH:40][c:41]([NH:44][C:45]([O:46][c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)=[O:47])[cH:42][cH:43]1>>[NH:1]([c:2]1[c:3]([O:33][C:34]([F:35])([F:36])[F:37])[cH:4][c:5]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][N:13]([CH2:16][c:17]3[cH:18][cH:19][c:20]([C:23]([C:24]([F:25])([F:26])[F:27])([C:28]([F:29])([F:30])[F:31])[OH:32])[cH:21][cH:22]3)[CH2:14][CH2:15]2)[cH:6][cH:7]1)[C:45]([NH:44][c:41]1[cH:40][cH:39][n:38][cH:43][cH:42]1)=[O:46]Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-1c73e4654c1d49e4b3703b8df041bb9a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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