Water → Tert-butyl 1-(2-chloro-4-(3-((7-methoxyquinolin-4-yloxy)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)ethylcarbamate

HRID 1216622Notes

Reaction equation

HRID 1216622 reaction equation
[C:51](=[O:52])([O-:53])[O-:54].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([CH2:11][O:12][c:13]1[cH:14][cH:15][n:16][c:17]3[cH:18][c:19]([O:23][CH3:24])[cH:20][cH:21][c:22]13)[n:9][n:10]2.[Cl:25][c:26]1[c:27]([CH:41]([CH3:42])[NH:43][C:44]([O:45][C:46]([CH3:47])([CH3:48])[CH3:49])=[O:50])[cH:28][cH:29][c:30]([B:32]2[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40]2)[cH:31]1.[Cs+:55].[Cs+:56].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH2:62]>>[c:2]1(-[c:30]2[cH:29][cH:28][c:27]([CH:41]([CH3:42])[NH:43][C:44]([O:45][C:46]([CH3:47])([CH3:48])[CH3:49])=[O:50])[c:26]([Cl:25])[cH:31]2)[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([CH2:11][O:12][c:13]1[cH:14][cH:15][n:16][c:17]3[cH:18][c:19]([O:23][CH3:24])[cH:20][cH:21][c:22]13)[n:9][n:10]2

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 250669924-((6-Chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy)-7-methoxyquinolineHCID 57691125Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamate

Product 1

HCID 57691339Tert-butyl 1-(2-chloro-4-(3-((7-methoxyquinolin-4-yloxy)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)ethylcarbamate

Sources & evidence

ORD record
ord-6be99588c3f44a4fbc65f741d8b0dd0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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