Acetic Acid → (+/-)9-{6-[(4-Methoxy-benzyl)-methyl-amino]-pyridin-2-yl}-3-quinoxalin-2-yl-nonanoic acid ethyl ester
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH:6]([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][c:13]1[n:14][c:15]([NH:19][CH2:20][c:21]2[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]2)[cH:16][cH:17][cH:18]1)[c:29]1[n:30][c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2[n:37][cH:38]1)=[O:39].[CH3:40][C:41](=[O:42])[OH:43].[CH3:44][OH:45]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH:6]([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][c:13]1[n:14][c:15]([N:19]([CH2:20][c:21]2[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]2)[CH3:40])[cH:16][cH:17][cH:18]1)[c:29]1[n:30][c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2[n:37][cH:38]1)=[O:39]Participants
4
Sources & evidence
- ORD record
- ord-94c0e092c127496996dcacb823d6a97d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
- DOI