Trifluoroacetic acid → HCID 178451718, compound
Reaction equation
[CH3:40][C:41]([CH3:42])([CH3:43])[O:44][C:45](=[O:46])[N:47]1[CH:48]([C:49](=[O:50])[OH:51])[CH2:52][CH2:53][CH2:54]1.[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH2:8][c:9]1[cH:10][c:11]2[cH:12][c:13]([C:18](=[O:19])[NH:20][CH2:21][c:22]3[c:23]([F:39])[c:24]([O:29][c:30]4[cH:31][c:32]([Cl:38])[cH:33][c:34]([C:36]#[N:37])[cH:35]4)[c:25]([Cl:28])[cH:26][cH:27]3)[nH:14][c:15]2[cH:16][cH:17]1.[O:64]=[C:65]1[N:66]([P:67]([Cl:68])([N:69]2[CH2:70][CH2:71][O:72][C:73]2=[O:74])=[O:75])[CH2:76][CH2:77][O:78]1>>[NH:8]([c:9]1[cH:10][c:11]2[cH:12][c:13]([C:18](=[O:19])[NH:20][CH2:21][c:22]3[c:23]([F:39])[c:24]([O:29][c:30]4[cH:31][c:32]([Cl:38])[cH:33][c:34]([C:36]#[N:37])[cH:35]4)[c:25]([Cl:28])[cH:26][cH:27]3)[nH:14][c:15]2[cH:16][cH:17]1)[C:49]([CH:48]1[N:47]([C:45]([O:44][C:41]([CH3:40])([CH3:42])[CH3:43])=[O:46])[CH2:54][CH2:53][CH2:52]1)=[O:50]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-5e92c2a1fc04492cba1c66851dbcf1c0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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