(3,5-Difluorophenyl)boronic acid → 6-((6-(3,5-Difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)difluoromethyl)-3-(2-methoxyethoxy)quinoline
Reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([C:11]([c:12]1[cH:13][c:14]3[cH:15][c:16]([O:22][CH2:23][CH2:24][O:25][CH3:26])[cH:17][n:18][c:19]3[cH:20][cH:21]1)([F:27])[F:28])[n:9][n:10]2.[F:29][c:30]1[cH:31][c:32]([B:37]([OH:38])[OH:39])[cH:33][c:34]([F:36])[cH:35]1.[F:40][c:41]1[cH:42][c:43](-[c:44]2[cH:45][c:46]([F:47])[c:48]3[n:49]([c:50]([C:51]([F:52])([F:53])[c:54]4[cH:55][c:56]5[c:57]([cH:58][cH:59]4)[n:60][cH:61][c:62]([O:63][CH3:64])[cH:65]5)[n:66][n:67]3)[cH:68]2)[cH:69][c:70]([F:71])[cH:72]1>>[c:2]1(-[c:32]2[cH:31][c:30]([F:29])[cH:35][c:34]([F:36])[cH:33]2)[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([C:11]([c:12]1[cH:13][c:14]3[cH:15][c:16]([O:22][CH2:23][CH2:24][O:25][CH3:26])[cH:17][n:18][c:19]3[cH:20][cH:21]1)([F:27])[F:28])[n:9][n:10]2Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-b5ee84793b9342e698f4a15e664d5a69
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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