7-Methoxy-4-((6-(6-(piperazin-1-yl)pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy)quinoline → HCID 67504028, compound
Reaction equation
[CH3:44][O:45][c:46]1[cH:47][c:48]2[c:49]([c:50]([O:51][CH2:52][c:53]3[n:54]4[n:55][c:56](-[c:57]5[cH:58][n:59][c:60]([N:61]6[CH2:62][CH2:63][NH:64][CH2:65][CH2:66]6)[cH:67][cH:68]5)[cH:69][cH:70][c:71]4[n:72][n:73]3)[cH:74][cH:75][n:76]2)[cH:77][cH:78]1.[F:1][c:2]1[cH:3][c:4](-[c:9]2[cH:10][cH:11][c:12]3[n:13]([n:14]2)[c:15]([CH2:18][NH:19][c:20]2[cH:21][cH:22][n:23][c:24]4[cH:25][c:26]([O:30][CH2:31][CH:32]5[N:33]([C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[CH2:34][CH2:35][CH2:36]5)[cH:27][n:28][c:29]24)[n:16][n:17]3)[cH:5][c:6]([F:8])[cH:7]1>>[F:1][c:2]1[cH:3][c:4](-[c:9]2[cH:10][cH:11][c:12]3[n:13]([n:14]2)[c:15]([CH2:18][NH:19][c:20]2[cH:21][cH:22][n:23][c:24]4[cH:25][c:26]([O:30][CH2:31][CH:32]5[NH:33][CH2:34][CH2:35][CH2:36]5)[cH:27][n:28][c:29]24)[n:16][n:17]3)[cH:5][c:6]([F:8])[cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-914e0b5106d541f09379cca0f2520cb6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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