Trifluoroacetate → HCID 178491339, compound
Reaction equation
[Cl:1][C:2]1([c:13]2[cH:14][c:15]([CH:16]=[O:17])[cH:18][cH:19][c:20]2[O:21][CH3:22])[C:3](=[O:12])[NH:4][c:5]2[cH:6][cH:7][c:8]([Cl:11])[cH:9][c:10]21.[Cl:41][c:42]1[cH:43][c:44]2[c:45]([cH:46][cH:47]1)[N:48]([S:49]([c:50]1[cH:51][cH:52][c:53]([O:54][CH3:55])[cH:56][c:57]1[O:58][C:59]([F:60])([F:61])[F:62])(=[O:63])=[O:64])[C:65](=[O:66])[C:67]2([N:68]1[CH2:69][CH:70]([O:71][CH2:72][CH:73]([OH:74])[CH2:75][OH:76])[CH2:77][CH:78]1[C:79]([N:80]([CH3:81])[CH3:82])=[O:83])[c:84]1[cH:85][c:86]([CH3:87])[cH:88][cH:89][c:90]1[O:91][CH3:92].[O-:34][C:35]([C:36]([F:37])([F:38])[F:39])=[O:40].[OH:23][CH:24]1[CH2:25][CH:26]([C:29](=[O:30])[N:31]([CH3:32])[CH3:33])[NH:27][CH2:28]1>>[C:2]1([c:13]2[cH:14][c:15]([CH:16]=[O:17])[cH:18][cH:19][c:20]2[O:21][CH3:22])([N:27]2[CH:26]([C:29](=[O:30])[N:31]([CH3:32])[CH3:33])[CH2:25][CH:24]([OH:23])[CH2:28]2)[C:3](=[O:12])[NH:4][c:5]2[cH:6][cH:7][c:8]([Cl:11])[cH:9][c:10]21Participants
5
Reactant 4
HCID 84468Trifluoroacetate
HCID 199071924-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
HCID 866257173-(3,5-dichloro-2-oxo-2,3-dihydro-1H-indol-3-yl)-4-methoxy benzaldehyde
HCID 1784928551-[5-chloro-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-4-(2,3-dihydroxypropoxy)-N,N-dimethylpyrrolidine-2-carboxamideProduct 1
Sources & evidence
- ORD record
- ord-bbe6485fa18f48c59fcb9f159df6a88e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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