Ethanol → 3-(3-(4-(Benzo[d]thiazol-2-ylamino)-3-fluorophenoxy)pyrazin-2-yl)cyclohex-2-enone

HRID 147902Notes

Reaction equation

HRID 147902 reaction equation
[CH3:26][C:27]1([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32][B:33]([C:34]2=[CH:35][C:36](=[O:40])[CH2:37][CH2:38][CH2:39]2)[O:41]1.[CH3:49][O:50][CH2:51][CH2:52][O:53][CH3:54].[CH3:56][CH2:57][OH:58].[Cl:1][c:2]1[c:3]([O:8][c:9]2[cH:10][c:11]([F:25])[c:12]([NH:15][c:16]3[s:17][c:18]4[c:19]([n:20]3)[cH:21][cH:22][cH:23][cH:24]4)[cH:13][cH:14]2)[n:4][cH:5][cH:6][n:7]1.[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47].[OH2:48].[OH2:55].[Pd:59]([Cl:60])[Cl:61].[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1.[c:81]1([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[cH:95][cH:96][cH:97][cH:98][cH:99]1>>[c:2]1([C:34]2=[CH:35][C:36](=[O:40])[CH2:37][CH2:38][CH2:39]2)[c:3]([O:8][c:9]2[cH:10][c:11]([F:25])[c:12]([NH:15][c:16]3[s:17][c:18]4[c:19]([n:20]3)[cH:21][cH:22][cH:23][cH:24]4)[cH:13][cH:14]2)[n:4][cH:5][cH:6][n:7]1

Participants

10

Reactant 9

HCID 702EthanolHCID 923Sodium ion2×HCID 962Water2×HCID 80711,2-DimethoxyethaneHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 46207695N-(4-(3-chloropyrazin-2-yloxy)-2-fluorophenyl)benzo[d]thiazol-2-amineHCID 574964223-(Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one

Product 1

HCID 593513153-(3-(4-(Benzo[d]thiazol-2-ylamino)-3-fluorophenoxy)pyrazin-2-yl)cyclohex-2-enone

Sources & evidence

ORD record
ord-fb75e55a99854e6aae3d44b3e9dfe578
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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