Dichloromethane → tert-butyl N-[2-[3-(5-cyano-2-methoxyphenyl)prop-2-enoylamino]-3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]carbamate
Reaction equation
[B-:16]([F:17])([F:18])([F:19])[F:20].[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([O:14][CH3:15])[c:7]([CH:9]=[CH:10][C:11](=[O:12])[OH:13])[cH:8]1.[C:47]([CH3:48])([CH3:49])([CH3:50])[O:51][C:52]([NH:53][CH2:54][CH:55]([CH2:56][N:57]1[CH2:58][CH2:59][CH:60]([O:63][c:64]2[cH:65][cH:66][c:67]([F:70])[cH:68][cH:69]2)[CH2:61][CH2:62]1)[NH2:71])=[O:72].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[Cl:73][CH2:74][Cl:75].[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([O:14][CH3:15])[c:7]([CH:9]=[CH:10][C:11](=[O:13])[NH:71][CH:55]([CH2:54][NH:53][C:52]([O:51][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:72])[CH2:56][N:57]2[CH2:58][CH2:59][CH:60]([O:63][c:64]3[cH:65][cH:66][c:67]([F:70])[cH:68][cH:69]3)[CH2:61][CH2:62]2)[cH:8]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-247838cc2a864e26af6663b0e68aecb2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…