Water → Ethyl 4-(2-{(3,5-bis-trifluoromethyl-benzyl)-[2-(1-ethyl-propoxy)-5-trifluoromethyl-benzyl]-amino}-pyrimidin-5-yloxy)-butyrate
Reaction equation
[CH3:44][CH2:45][CH:46]([CH2:47][CH3:48])[OH:49].[CH3:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[CH3:93][CH2:94][O:95][C:96](=[O:97])[CH3:98].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[O:20][CH2:21][CH3:22])[cH:12][n:13]2)[CH2:23][c:24]2[c:25]([OH:34])[cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)[cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]1)([F:42])[F:43].[O:69]=[C:70]([O:71][CH2:72][CH3:73])[N:74]=[N:75][C:76]([O:77][CH2:78][CH3:79])=[O:80].[O:81]1[CH2:82][CH2:83][CH2:84][CH2:85]1.[OH2:99].[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[O:20][CH2:21][CH3:22])[cH:12][n:13]2)[CH2:23][c:24]2[c:25]([O:34][CH:46]([CH2:45][CH3:44])[CH2:47][CH3:48])[cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)[cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]1)([F:42])[F:43]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-05697c9e3f0e46d89f2adbb881cd4371
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…