Water → N4-(6-methoxypyridin-3-yl)-N2,N2-dimethyl-5-(4-methyl-6-(methylthio)-1,3,5-triazin-2-yl)pyrimidine-2,4-diamine

HRID 2314854Notes

Reaction equation

HRID 2314854 reaction equation
[CH3:20][c:21]1[n:22][c:23]([Sn:29]([CH2:30][CH2:31][CH2:32][CH3:33])([CH2:34][CH2:35][CH2:36][CH3:37])[CH2:38][CH2:39][CH2:40][CH3:41])[n:24][c:25]([S:27][CH3:28])[n:26]1.[Cs+:43].[Cu:51][I:52].[F-:42].[I:1][c:2]1[c:3]([NH:11][c:12]2[cH:13][n:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)[n:4][c:5]([N:8]([CH3:9])[CH3:10])[n:6][cH:7]1.[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[OH2:50].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[c:2]1(-[c:23]2[n:22][c:21]([CH3:20])[n:26][c:25]([S:27][CH3:28])[n:24]2)[c:3]([NH:11][c:12]2[cH:13][n:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)[n:4][c:5]([N:8]([CH3:9])[CH3:10])[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 666004095-iodo-N4-(6-methoxypyridin-3-yl)-N2,N2-dimethylpyrimidine-2,4-diamineHCID 178420554HCID 178420554, compound

Product 1

HCID 66610492N4-(6-methoxypyridin-3-yl)-N2,N2-dimethyl-5-(4-methyl-6-(methylthio)-1,3,5-triazin-2-yl)pyrimidine-2,4-diamine

Sources & evidence

ORD record
ord-90e13553f5504684ae7de75ec4396ce6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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