Trifluoroacetic acid → 1,1-dimethylethyl {2-[(2-{[({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)amino]carbonyl}-1H-indol-5-yl)amino]-2-oxoethyl}carbamate
Reaction equation
[CH3:40][C:41]([CH3:42])([CH3:43])[O:44][C:45](=[O:46])[NH:47][CH2:48][C:49](=[O:50])[OH:51].[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[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:61]=[C:62]1[N:63]([P:64]([Cl:65])([N:66]2[CH2:67][CH2:68][O:69][C:70]2=[O:71])=[O:72])[CH2:73][CH2:74][O:75]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]([CH2:48][NH:47][C:45]([O:44][C:41]([CH3:40])([CH3:42])[CH3:43])=[O:46])=[O:50]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-3f156ca373dd4590aecdeb78c800bc8f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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