Methanol → 3-(1,3-Benzoxazol-2-yl)-5-[2-(4-methylpiperazin-1-yl)thiazol-5-yl]pyridin-2-amine

HRID 701014Notes

Reaction equation

HRID 701014 reaction equation
[Br:26][c:27]1[cH:28][n:29][c:30]([N:32]2[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]2)[s:31]1.[CH3:41][OH:42].[CH3:43][C:44]#[N:45].[Cs+:40].[F-:39].[Pd:46]([Cl:47])[Cl:48].[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1.[o:1]1[c:2](-[c:10]2[c:11]([NH2:25])[n:12][cH:13][c:14]([B:16]3[O:17][C:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24]3)[cH:15]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[o:1]1[c:2](-[c:10]2[c:11]([NH2:25])[n:12][cH:13][c:14](-[c:27]3[cH:28][n:29][c:30]([N:32]4[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]4)[s:31]3)[cH:15]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

9

Reactant 8

HCID 887MethanolHCID 6342AcetonitrileHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 28179Fluoride IonHCID 104967Cesium cationHCID 457875521-(5-Bromo-1,3-thiazol-2-yl)-4-methylpiperazineHCID 673889123-(1,3-Benzoxazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

Product 1

HCID 673884383-(1,3-Benzoxazol-2-yl)-5-[2-(4-methylpiperazin-1-yl)thiazol-5-yl]pyridin-2-amine

Sources & evidence

ORD record
ord-b2cdd156808c4cb79c96b40ad6b42021
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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