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

HRID 292773Notes

Reaction equation

HRID 292773 reaction equation
[CH3:19][c:20]1[n:21][c:22]([Sn:28]([CH2:29][CH2:30][CH2:31][CH3:32])([CH2:33][CH2:34][CH2:35][CH3:36])[CH2:37][CH2:38][CH2:39][CH3:40])[n:23][c:24]([S:26][CH3:27])[n:25]1.[Cs+:42].[Cu:50][I:51].[F-:41].[I:1][c:2]1[c:3]([NH:10][c:11]2[cH:12][n:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[n:4][c:5]([O:8][CH3:9])[n:6][cH:7]1.[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[OH2:49].[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[c:2]1(-[c:22]2[n:21][c:20]([CH3:19])[n:25][c:24]([S:26][CH3:27])[n:23]2)[c:3]([NH:10][c:11]2[cH:12][n:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[n:4][c:5]([O:8][CH3:9])[n:6][cH:7]1

Participants

9

Reactant 8

HCID 962WaterHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 28179Fluoride IonHCID 312751,4-DioxaneHCID 104967Cesium cationHCID 601547172-Methyl-4-(methylthio)-6-(tributylstannyl)-1,3,5-triazineHCID 666002025-iodo-2-methoxy-N-(6-methoxypyridin-3-yl)pyrimidin-4-amineHCID 178420554HCID 178420554, compound

Product 1

HCID 666120022-methoxy-N-(6-methoxypyridin-3-yl)-5-(4-methyl-6-(methylthio)-1,3,5-triazin-2-yl)pyrimidin-4-amine

Sources & evidence

ORD record
ord-c9580311e2144002b64e92206ca4035c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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