Acetate → 2-{4-[6-(6-Methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)-quinolin-3-yl]pyrazol-1-yl}-ethanol
Reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]2[cH:6][cH:7][c:8]([CH2:12][c:13]3[n:14][n:15][c:16]4[n:17]3[n:18][c:19]([CH3:22])[cH:20][cH:21]4)[cH:9][c:10]2[cH:11]1.[Br:28][c:29]1[cH:30][n:31][n:32]([CH2:34][CH2:35][OH:36])[cH:33]1.[CH3:24][C:25](=[O:26])[O-:27].[CH3:50][C:51]([N:52]([CH3:53])[CH3:54])=[O:55].[CH3:56][C:57]#[N:58].[K+:23].[Na+:37].[Na+:38].[Na+:43].[Na+:44].[O-:39][C:40](=[O:41])[O-:42].[O-:45][S:46]([O-:47])(=[O:48])=[O:49]>>[c:2]1(-[c:29]2[cH:30][n:31][n:32]([CH2:34][CH2:35][OH:36])[cH:33]2)[cH:3][n:4][c:5]2[cH:6][cH:7][c:8]([CH2:12][c:13]3[n:14][n:15][c:16]4[n:17]3[n:18][c:19]([CH3:22])[cH:20][cH:21]4)[cH:9][c:10]2[cH:11]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-87c70253af2a4c078cbd858e89536c71
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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