Water → 5-chloro-N-(6-methoxypyridin-3-yl)-3-(2-methyl-6-(methylthio)pyrimidin-4-yl)pyrazin-2-amine

HRID 188753Notes

Reaction equation

HRID 188753 reaction equation
[Br:1][c:2]1[c:3]([NH:9][c:10]2[cH:11][n:12][c:13]([O:16][CH3:17])[cH:14][cH:15]2)[n:4][cH:5][c:6]([Cl:8])[n:7]1.[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])[cH:24][c:25]([S:27][CH3:28])[n:26]1.[Cs+:19].[Cu:49][I:50].[F-:18].[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[OH2:48].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[c:2]1(-[c:23]2[n:22][c:21]([CH3:20])[n:26][c:25]([S:27][CH3:28])[cH:24]2)[c:3]([NH:9][c:10]2[cH:11][n:12][c:13]([O:16][CH3:17])[cH:14][cH:15]2)[n:4][cH:5][c:6]([Cl:8])[n: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 595482802-Methyl-4-(methylthio)-6-(tributylstannyl)pyrimidineHCID 866470673-bromo-5-chloro-N-(6-methoxypyridin-3-yl)pyrazin-2-amineHCID 178420554HCID 178420554, compound

Product 1

HCID 866470685-chloro-N-(6-methoxypyridin-3-yl)-3-(2-methyl-6-(methylthio)pyrimidin-4-yl)pyrazin-2-amine

Sources & evidence

ORD record
ord-8d57d4fc193547b6843aed9088be569e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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