Acetic Acid → 8-Chloro-2-{4-[3-(2,4-dimethyl-phenoxy)-2-hydroxy-propylamino]-2-oxo-1,2-dihydro-pyridin-3-yl}-6-(1-methyl-piperidin-4-yl)-6,7-dihydro-3H-1,3,6-triaza-s-indacen-5-one
Reaction equation
[C:44]([OH:45])(=[O:46])[CH3:47].[CH3:48][OH:49].[Cl:1][c:2]1[c:3]2[n:4][c:5](-[c:23]3[c:24](=[O:43])[nH:25][cH:26][cH:27][c:28]3[NH:29][CH2:30][CH:31]([CH2:32][O:33][c:34]3[c:35]([CH3:41])[cH:36][c:37]([CH3:40])[cH:38][cH:39]3)[OH:42])[nH:6][c:7]2[cH:8][c:9]2[c:13]1[C:12](=[O:14])[N:11]([CH:15]1[CH2:16][CH2:17][N:18]([CH3:21])[CH2:19][CH2:20]1)[C:10]2=[O:22].[Zn:50]>>[Cl:1][c:2]1[c:3]2[n:4][c:5](-[c:23]3[c:24](=[O:43])[nH:25][cH:26][cH:27][c:28]3[NH:29][CH2:30][CH:31]([CH2:32][O:33][c:34]3[c:35]([CH3:41])[cH:36][c:37]([CH3:40])[cH:38][cH:39]3)[OH:42])[nH:6][c:7]2[cH:8][c:9]2[c:13]1[CH2:12][N:11]([CH:15]1[CH2:16][CH2:17][N:18]([CH3:21])[CH2:19][CH2:20]1)[C:10]2=[O:22]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-ead53dd28ad7437b8067aed861a39950
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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