Chloride → 3-Cyano-4-(2'-methylbutyl)benzoic acid 4'-octyloxy-4-biphenylyl ester
Reaction equation
[C-:37]#[N:38].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[O:9][c:10]1[cH:11][cH:12][c:13](-[c:16]2[cH:17][cH:18][c:19]([O:22][C:23]([c:24]3[cH:25][c:26]([Br:35])[c:27]([CH2:30][CH:31]([CH2:32][CH3:33])[CH3:34])[cH:28][cH:29]3)=[O:36])[cH:20][cH:21]2)[cH:14][cH:15]1.[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cl-:39].[ClH:40].[OH2:48]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[O:9][c:10]1[cH:11][cH:12][c:13](-[c:16]2[cH:17][cH:18][c:19]([O:22][C:23]([c:24]3[cH:25][c:26]([C:37]#[N:38])[c:27]([CH2:30][CH:31]([CH2:32][CH3:33])[CH3:34])[cH:28][cH:29]3)=[O:36])[cH:20][cH:21]2)[cH:14][cH:15]1Participants
8
Sources & evidence
- ORD record
- ord-96e15009cf724aecabe4088c3247293b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…