Citric Acid → 2-(3-Bromo-4-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl) [1,2,4]triazol-5-ylmethylcarbamoyl)indole-1-acetic acid
Reaction equation
[Br:1][c:2]1[n:3][n:4][c:5]([CH2:23][NH:24][C:25](=[O:26])[c:27]2[n:28]([CH2:36][C:37](=[O:38])[O:39][CH2:40][CH3:41])[c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]3[cH:35]2)[n:6]1-[c:7]1[s:8][c:9]([CH2:21][CH3:22])[cH:10][c:11]1[C:12]([c:13]1[c:14]([Cl:19])[cH:15][cH:16][cH:17][cH:18]1)=[O:20].[CH3:57][CH2:58][OH:59].[Na+:43].[OH-:42].[OH:44][C:45]([CH2:46][C:47]([C:48](=[O:49])[OH:50])([CH2:51][C:52](=[O:53])[OH:54])[OH:55])=[O:56]>>[Br:1][c:2]1[n:3][n:4][c:5]([CH2:23][NH:24][C:25](=[O:26])[c:27]2[n:28]([CH2:36][C:37](=[O:38])[OH:39])[c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]3[cH:35]2)[n:6]1-[c:7]1[s:8][c:9]([CH2:21][CH3:22])[cH:10][c:11]1[C:12]([c:13]1[c:14]([Cl:19])[cH:15][cH:16][cH:17][cH:18]1)=[O:20]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-905f146510924139aab48ef19d43e946
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…