Water → tert-Butyl 4-[3-(2-chloropyrid-4-yl)-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate

HRID 107355Notes

Reaction equation

HRID 107355 reaction equation
[C:31](=[O:32])([O-:33])[O-:34].[CH3:47][C:48]#[N:49].[CH:56]([Cl:57])([Cl:58])[Cl:59].[Cl:37][c:38]1[n:39][cH:40][cH:41][c:42]([B:44]([OH:45])[OH:46])[cH:43]1.[Cs+:35].[Cs+:36].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[n:11]([n:12][c:13]([N:16]4[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]4)[cH:14][cH:15]3)[c:29]2[I:30])[cH:6][cH:7]1.[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH2:55]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[n:11]([n:12][c:13]([N:16]4[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]4)[cH:14][cH:15]3)[c:29]2-[c:42]2[cH:41][cH:40][n:39][c:38]([Cl:37])[cH:43]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 962WaterHCID 6212ChloroformHCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 51515952-Chloropyridine-4-boronic acidHCID 59406961Tert-butyl 4-[2-(4-fluorophenyl)-3-iodoimidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate

Product 1

HCID 59406966tert-Butyl 4-[3-(2-chloropyrid-4-yl)-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-9d3dd7f521ad4579ab234a167c231d56
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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