Bicarbonate Ion → 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-7-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}quinoline-3-carbonitrile
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([NH:14][c:15]3[c:16]([Cl:24])[cH:17][c:18]([Cl:23])[c:19]([O:21][CH3:22])[cH:20]3)[c:7]([C:12]#[N:13])[cH:8][n:9][c:10]2[cH:11]1.[C:55](=[O:56])([OH:57])[O-:58].[CH2:25]([CH3:26])[N:27]1[CH2:28][CH2:29][N:30]([CH2:33][c:34]2[cH:35][cH:36][c:37]([B:40]3[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]3)[cH:38][cH:39]2)[CH2:31][CH2:32]1.[CH3:49][O:50][CH2:51][CH2:52][O:53][CH3:54].[Na+:59].[Pd:60].[c:118]1([P:119]([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133][cH:134][cH:135][cH:136]1.[c:61]1([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1.[c:80]1([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[cH:94][cH:95][cH:96][cH:97][cH:98]1.[c:99]1([P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114][cH:115][cH:116][cH:117]1>>[c:2]1(-[c:37]2[cH:36][cH:35][c:34]([CH2:33][N:30]3[CH2:29][CH2:28][N:27]([CH2:25][CH3:26])[CH2:32][CH2:31]3)[cH:39][cH:38]2)[cH:3][cH:4][c:5]2[c:6]([NH:14][c:15]3[c:16]([Cl:24])[cH:17][c:18]([Cl:23])[c:19]([O:21][CH3:22])[cH:20]3)[c:7]([C:12]#[N:13])[cH:8][n:9][c:10]2[cH:11]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-cc74ee1227c84a329d09650d18a5ddc3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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