Trifluoroacetic acid → 1,1-dimethylethyl {3-[(2-{[({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)amino]carbonyl}-1H-indol-5-yl)amino]-3-oxopropyl}carbamate
Reaction equation
[CH3:40][C:41]([CH3:42])([CH3:43])[O:44][C:45](=[O:46])[NH:47][CH2:48][CH2:49][C:50](=[O:51])[OH:52].[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[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:62]=[C:63]1[N:64]([P:65]([Cl:66])([N:67]2[CH2:68][CH2:69][O:70][C:71]2=[O:72])=[O:73])[CH2:74][CH2:75][O:76]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:50]([CH2:49][CH2:48][NH:47][C:45]([O:44][C:41]([CH3:40])([CH3:42])[CH3:43])=[O:46])=[O:51]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-9755f5b3848948cbaafad7afee663c8a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
Loading…