Water → N-(6-methoxypyridin-3-yl)-5-(4-methyl-6-(methylthio)-1,3,5-triazin-2-yl)pyrimidin-4-amine

HRID 118190Notes

Reaction equation

HRID 118190 reaction equation
[Br:1][c:2]1[c:3]([NH:8][c:9]2[cH:10][n:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[n:4][cH:5][n:6][cH:7]1.[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:17][c:18]1[n:19][c:20]([Sn:26]([CH2:27][CH2:28][CH2:29][CH3:30])([CH2:31][CH2:32][CH2:33][CH3:34])[CH2:35][CH2:36][CH2:37][CH3:38])[n:21][c:22]([S:24][CH3:25])[n:23]1.[Cs+:40].[Cu:47][I:48].[F-:39].[OH2:46].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]1>>[c:2]1(-[c:20]2[n:19][c:18]([CH3:17])[n:23][c:22]([S:24][CH3:25])[n:21]2)[c:3]([NH:8][c:9]2[cH:10][n:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[n:4][cH:5][n:6][cH:7]1

Participants

9

Reactant 8

HCID 962WaterHCID 8028TetrahydrofuranHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 28179Fluoride IonHCID 104967Cesium cationHCID 601547172-Methyl-4-(methylthio)-6-(tributylstannyl)-1,3,5-triazineHCID 601557905-bromo-N-(6-methoxypyridin-3-yl)pyrimidin-4-amineHCID 178420554HCID 178420554, compound

Product 1

HCID 60155791N-(6-methoxypyridin-3-yl)-5-(4-methyl-6-(methylthio)-1,3,5-triazin-2-yl)pyrimidin-4-amine

Sources & evidence

ORD record
ord-d304a72d2e5145759c6cd833b755c610
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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