Water → Tert-butyl (6-(3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylcarbamate

HRID 1130852Notes

Reaction equation

HRID 1130852 reaction equation
[C:42](=[O:43])([O-:44])[O-:45].[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([CH2:11][NH:12][C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[n:9][n:10]2.[Cs+:46].[Cs+:47].[F:20][c:21]1[c:22]([N:36]2[C:37](=[O:41])[CH2:38][CH2:39][CH2:40]2)[cH:23][cH:24][c:25]([B:27]2[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]2)[cH:26]1.[OH2:54]>>[c:2]1(-[c:25]2[cH:24][cH:23][c:22]([N:36]3[C:37](=[O:41])[CH2:38][CH2:39][CH2:40]3)[c:21]([F:20])[cH:26]2)[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([CH2:11][NH:12][C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[n:9][n:10]2

Participants

7

Reactant 6

HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 57691353(3-Fluoro-4-(2-oxopyrrolidin-1-YL)phenyl)boronic acid pinacol esterHCID 57691389tert-Butyl ((6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)carbamate

Product 1

HCID 57691433Tert-butyl (6-(3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylcarbamate

Sources & evidence

ORD record
ord-93521494fee74847969cacaaaef6a018
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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