Potassium Cation → 2-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-7-amine

HRID 305363Notes

Reaction equation

HRID 305363 reaction equation
[Br:1][c:2]1[cH:3][s:4][c:5]2[c:6]1[n:7][c:8]([Cl:11])[n:9][cH:10]2.[C:12](=[O:13])([O-:14])[O-:15].[CH3:18][O:19][c:20]1[cH:21][c:22]([NH2:30])[cH:23][c:24]([O:28][CH3:29])[c:25]1[O:26][CH3:27].[CH3:31][CH:32]([OH:33])[CH2:34][CH3:35].[K+:16].[K+:17].[O:38]=[C:39]([CH:40]=[CH:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[CH:48]=[CH:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[O:56]=[C:57]([CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)[CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[Pd:36].[Pd:37]>>[c:2]1([NH:30][c:22]2[cH:21][c:20]([O:19][CH3:18])[c:25]([O:26][CH3:27])[c:24]([O:28][CH3:29])[cH:23]2)[cH:3][s:4][c:5]2[c:6]1[n:7][c:8]([Cl:11])[n:9][cH:10]2

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 6568(+-)-2-ButanolHCID 19660Carbonate IonHCID 23938Palladium2×HCID 322853,4,5-TrimethoxyanilineHCID 95417Dibenzylidene acetone3×HCID 569657247-Bromo-2-chlorothieno(3,2-d)pyrimidine

Product 1

HCID 866732242-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-7-amine

Sources & evidence

ORD record
ord-295adb7d4ec24f6fa32f0ee0d5d3e5c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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