Sodium ion → 1-(Cyclopropylmethyl)-3-(4-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzoyl)piperazine-1-carbonyl)phenyl)urea
Reaction equation
[CH2:49]([P:50]([OH:51])(=[O:52])[OH:53])[CH2:54][CH3:55].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[CH:1]1([CH2:4][NH:5][C:6](=[O:7])[NH:8][c:9]2[cH:10][cH:11][c:12]([C:15](=[O:16])[N:17]3[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]3)[cH:13][cH:14]2)[CH2:2][CH2:3]1.[Cl:56][CH2:57][Cl:58].[F:23][C:24]([C:25]([C:26]([F:27])([F:28])[F:29])([OH:30])[c:31]1[cH:32][cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39]1)([F:40])[F:41].[Na+:65].[Na+:66].[O-:67][C:68](=[O:69])[O-:70]>>[CH:1]1([CH2:4][NH:5][C:6](=[O:7])[NH:8][c:9]2[cH:10][cH:11][c:12]([C:15](=[O:16])[N:17]3[CH2:18][CH2:19][N:20]([C:35]([c:34]4[cH:33][cH:32][c:31]([C:25]([C:24]([F:23])([F:40])[F:41])([C:26]([F:27])([F:28])[F:29])[OH:30])[cH:39][cH:38]4)=[O:36])[CH2:21][CH2:22]3)[cH:13][cH:14]2)[CH2:2][CH2:3]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-7e71f8ef08bf4b249af1c511bcbf3d1d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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