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

HRID 702681Notes

Reaction equation

HRID 702681 reaction equation
[CH3:23][c:24]1[n:25][c:26]([Sn:32]([CH2:33][CH2:34][CH2:35][CH3:36])([CH2:37][CH2:38][CH2:39][CH3:40])[CH2:41][CH2:42][CH2:43][CH3:44])[n:27][c:28]([S:30][CH3:31])[n:29]1.[CH:1]1([NH:6][c:7]2[n:8][cH:9][c:10]([I:22])[c:11]([NH:13][c:14]3[cH:15][n:16][c:17]([O:20][CH3:21])[cH:18][cH:19]3)[n:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cs+:46].[Cu:54][I:55].[F-:45].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[OH2:53].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[CH:1]1([NH:6][c:7]2[n:8][cH:9][c:10](-[c:26]3[n:25][c:24]([CH3:23])[n:29][c:28]([S:30][CH3:31])[n:27]3)[c:11]([NH:13][c:14]3[cH:15][n:16][c:17]([O:20][CH3:21])[cH:18][cH:19]3)[n:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]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 66600610N2-cyclopentyl-5-iodo-N4-(6-methoxypyridin-3-yl)pyrimidine-2,4-diamineHCID 178420554HCID 178420554, compound

Product 1

HCID 66611563N2-cyclopentyl-N4-(6-methoxypyridin-3-yl)-5-(4-methyl-6-(methylthio)-1,3,5-triazin-2-yl)pyrimidine-2,4-diamine

Sources & evidence

ORD record
ord-fa21ef789f37441ea70b246579a1c507
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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