Acetic Acid → 3-(5-(2-Chloropyrimidin-4-yl)-2-isopropylthiazol-4-yl)-2-fluoroaniline

HRID 674589Notes

Reaction equation

HRID 674589 reaction equation
[C:30]([OH:31])(=[O:32])[CH3:33].[CH2:34]([SnH:35]([CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH3:46].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:16]3[c:17]([F:29])[c:18]([NH:22][C:23](=[O:24])[O:25][CH2:26][CH:27]=[CH2:28])[cH:19][cH:20][cH:21]3)[n:10][c:11]([CH:13]([CH3:14])[CH3:15])[s:12]2)[n:7]1.[Cl:47][CH2:48][Cl:49].[Pd:50]([Cl:51])[Cl:52].[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1.[c:72]1([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87][cH:88][cH:89][cH:90]1>>[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:16]3[c:17]([F:29])[c:18]([NH2:22])[cH:19][cH:20][cH:21]3)[n:10][c:11]([CH:13]([CH3:14])[CH3:15])[s:12]2)[n:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 5948TributylstannaneHCID 6344DichloromethaneHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 579900512-Propen-1-yl {3-[5-(2-chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}carbamate

Product 1

HCID 579900183-(5-(2-Chloropyrimidin-4-yl)-2-isopropylthiazol-4-yl)-2-fluoroaniline

Sources & evidence

ORD record
ord-4af9a466fed643a1b091a205a9dfbfc1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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