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

HRID 674054Notes

Reaction equation

HRID 674054 reaction equation
[CH3:18][c:19]1[n:20][c:21]([Sn:27]([CH2:28][CH2:29][CH2:30][CH3:31])([CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH2:38][CH3:39])[n:22][c:23]([S:25][CH3:26])[n:24]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([I:17])[c:6]([NH:8][c:9]2[cH:10][n:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[n:7]1.[Cs+:41].[Cu:49][I:50].[F-:40].[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>>[Cl:1][c:2]1[n:3][cH:4][c:5](-[c:21]2[n:20][c:19]([CH3:18])[n:24][c:23]([S:25][CH3:26])[n:22]2)[c:6]([NH:8][c:9]2[cH:10][n:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[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 601547172-Methyl-4-(methylthio)-6-(tributylstannyl)-1,3,5-triazineHCID 866470532-chloro-5-iodo-N-(6-methoxypyridin-3-yl)pyrimidin-4-amineHCID 178420554HCID 178420554, compound

Product 1

HCID 866470542-chloro-N-(6-methoxypyridin-3-yl)-5-(4-methyl-6-(methylthio)-1,3,5-triazin-2-yl)pyrimidin-4-amine

Sources & evidence

ORD record
ord-2709b8b734484118a2f750a386db1c95
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…