Nitrogen → 2-benzyl-5-(3-fluoro-4-(2-(3-(4-methylpiperazin-1-yl)prop-1-ynyl)thieno[3,2-b]pyridin-7-yloxy)phenyl)pyrimidin-4(3H)-one
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][cH:10][c:11](-[c:15]2[cH:16][c:17]([F:32])[c:18]([O:21][c:22]3[c:23]4[c:24]([n:25][cH:26][cH:27]3)[cH:28][c:29]([I:31])[s:30]4)[cH:19][cH:20]2)[c:12](=[O:14])[nH:13]1.[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:33][N:34]1[CH2:35][CH2:36][N:37]([CH2:40][C:41]#[CH:42])[CH2:38][CH2:39]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[Cu:57][I:58].[N:50]#[N:51].[cH:59]1[cH:60][cH:61][c:62]([P:63]([Pd:64]([P:65]([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)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([P:84]([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)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[P:103]([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)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][cH:10][c:11](-[c:15]2[cH:16][c:17]([F:32])[c:18]([O:21][c:22]3[c:23]4[c:24]([n:25][cH:26][cH:27]3)[cH:28][c:29]([C:42]#[C:41][CH2:40][N:37]3[CH2:36][CH2:35][N:34]([CH3:33])[CH2:39][CH2:38]3)[s:30]4)[cH:19][cH:20]2)[c:12](=[O:14])[nH:13]1Participants
8
Reactant 7
HCID 947Nitrogen
HCID 8028Tetrahydrofuran
HCID 8471Triethylamine
HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)
HCID 135140911-Methyl-4-(prop-2-yn-1-yl)piperazine
HCID 673469802-benzyl-5-(3-fluoro-4-(2-iodothieno[3,2-b]pyridin-7-yloxy)phenyl)pyrimidin-4(3H)-one
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-0499147ad5174e2bbe0c5a2db8b619b3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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