Cyanide → N-(4-tert-Butyl-2-cyano-5-hydroxyphenyl)-1,4-dihydro-4-oxoquinoline-3-carboxamide
Reaction equation
[C-:34]#[N:35].[C-:37]#[N:38].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([Br:26])[c:8]([NH:12][C:13](=[O:14])[c:15]2[cH:16][nH:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[c:24]2=[O:25])[cH:9][c:10]1[OH:11].[CH3:27][N:28]1[CH2:29][CH2:30][CH2:31][C:32]1=[O:33].[Zn+2:36].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[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)[cH:114][cH:115]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:27]#[N:28])[c:8]([NH:12][C:13](=[O:14])[c:15]2[cH:16][nH:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[c:24]2=[O:25])[cH:9][c:10]1[OH:11]Participants
6
Sources & evidence
- ORD record
- ord-aba7ca6fdd484b8883ab8e38f2cc8931
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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