1,4-Dioxane → 4-[3-Chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-[5-[[2-hydroxyethyl(methyl)amino]methyl]-2-pyridinyl]quinoline-3-carbonitrile

HRID 137637

Reaction equation

HRID 137637 reaction equation
[Br:14][c:15]1[cH:16][cH:17][c:18]2[c:19]([NH:27][c:28]3[cH:29][c:30]([Cl:41])[c:31]([S:34][c:35]4[n:36]([CH3:40])[cH:37][cH:38][n:39]4)[cH:32][cH:33]3)[c:20]([C:25]#[N:26])[cH:21][n:22][c:23]2[cH:24]1.[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][N:9]([CH2:10][CH2:11][OH:12])[CH3:13])[cH:6][n:7]1.[CH2:42]1[O:43][CH2:44][CH2:45][O:46][CH2:47]1.[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[c:2]1(-[c:15]2[cH:16][cH:17][c:18]3[c:19]([NH:27][c:28]4[cH:29][c:30]([Cl:41])[c:31]([S:34][c:35]5[n:36]([CH3:40])[cH:37][cH:38][n:39]5)[cH:32][cH:33]4)[c:20]([C:25]#[N:26])[cH:21][n:22][c:23]3[cH:24]2)[cH:3][cH:4][c:5]([CH2:8][N:9]([CH2:10][CH2:11][OH:12])[CH3:13])[cH:6][n:7]1

Participants

5

Reactant 4

HCID 312751,4-DioxaneHCID 234378622-[(6-Bromo-pyridin-3-ylmethyl)-methyl-amino]-ethanolHCID 23437943HCID 23437943, compoundHCID 178420554HCID 178420554, compound

Product 1

HCID 234379704-[3-Chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-[5-[[2-hydroxyethyl(methyl)amino]methyl]-2-pyridinyl]quinoline-3-carbonitrile

Sources & evidence

ORD record
ord-4266b5020d874aabb52e7d5767a01abd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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