Dichloromethane → 3-Benzo[1,3]dioxol-5-yl-5-{6-[2-(2-ethoxycarbonyl-ethyl)-3-(3-ethoxycarbonyl-propoxy)-phenyl]-hexyloxy}-benzoic Acid
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([c:7]1[cH:8][c:9](-[c:42]2[cH:43][c:44]3[c:45]([cH:49][cH:50]2)[O:46][CH2:47][O:48]3)[cH:10][c:11]([O:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][c:20]2[c:21]([CH2:35][CH2:36][C:37](=[O:38])[O:39][CH2:40][CH3:41])[c:22]([O:26][CH2:27][CH2:28][CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:23][cH:24][cH:25]2)[cH:12]1)=[O:51].[Cl:59][CH2:60][Cl:61].[F:52][C:53]([F:54])([F:55])[C:56]([OH:57])=[O:58]>>[O:5]=[C:6]([c:7]1[cH:8][c:9](-[c:42]2[cH:43][c:44]3[c:45]([cH:49][cH:50]2)[O:46][CH2:47][O:48]3)[cH:10][c:11]([O:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][c:20]2[c:21]([CH2:35][CH2:36][C:37](=[O:38])[O:39][CH2:40][CH3:41])[c:22]([O:26][CH2:27][CH2:28][CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:23][cH:24][cH:25]2)[cH:12]1)[OH:51]Participants
4
Sources & evidence
- ORD record
- ord-83ba1245186245c7ad4b41d776eb022c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…