Water → 2-(ethylcarbamoylamino)-N-[1-[4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
Reaction equation
[CH2:31]([CH3:32])[NH:33][C:34]([NH:35][c:36]1[c:37]([C:38](=[O:39])[OH:40])[cH:41][c:42]([C:45]([F:46])([F:47])[F:48])[cH:43][cH:44]1)=[O:49].[CH:22]([N:23]([CH2:24][CH3:25])[CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[NH2:1][CH:2]1[C:3](=[O:21])[N:4]([CH:7]2[CH:8]([CH2:18][CH2:19][CH3:20])[CH2:9][CH:10]([N:13]([CH3:14])[CH:15]([CH3:16])[CH3:17])[CH2:11][CH2:12]2)[CH2:5][CH2:6]1.[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[OH2:79].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][C:59]([N:60]([CH3:61])[CH3:62])=[N+:63]([CH3:64])[CH3:65])[c:66]2[n:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[NH:1]([CH:2]1[C:3](=[O:21])[N:4]([CH:7]2[CH:8]([CH2:18][CH2:19][CH3:20])[CH2:9][CH:10]([N:13]([CH3:14])[CH:15]([CH3:16])[CH3:17])[CH2:11][CH2:12]2)[CH2:5][CH2:6]1)[C:38]([c:37]1[c:36]([NH:35][C:34]([NH:33][CH2:31][CH3:32])=[O:49])[cH:44][cH:43][c:42]([C:45]([F:46])([F:47])[F:48])[cH:41]1)=[O:39]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-1d5f80124ca14523ae226a327f12ffa8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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