Sodium ion → 5-[4-(2-chloroethoxy)phenyl]-4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]nicotinonitrile
Reaction equation
[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:53][O:54][CH2:55][CH2:56][O:57][CH3:58].[Cl:1][c:2]1[cH:3][c:4]([NH:12][c:13]2[c:14]([I:21])[cH:15][n:16][cH:17][c:18]2[C:19]#[N:20])[c:5]([CH3:11])[c:6]2[cH:7][cH:8][nH:9][c:10]12.[Cl:22][CH2:23][CH2:24][O:25][c:26]1[cH:27][cH:28][c:29]([B:32]([O:33][CH:34]([CH3:35])[CH3:36])[O:37][CH:38]([CH3:39])[CH3:40])[cH:30][cH:31]1.[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[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>>[Cl:1][c:2]1[cH:3][c:4]([NH:12][c:13]2[c:14](-[c:29]3[cH:28][cH:27][c:26]([O:25][CH2:24][CH2:23][Cl:22])[cH:31][cH:30]3)[cH:15][n:16][cH:17][c:18]2[C:19]#[N:20])[c:5]([CH3:11])[c:6]2[cH:7][cH:8][nH:9][c:10]12Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-0a67ba85880d4809ae776e1fa91894bd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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