Cyanide → 1,1-Dimethylethyl 1-[2-(butyloxy)-2-oxoethyl]-6-cyano-5-methyl-3,4-dihydro-2(1H)-isoquinolinecarboxylate
Reaction equation
[C-:117]#[N:118].[C-:120]#[N:121].[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6]([CH2:7][CH:8]1[N:9]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:10][CH2:11][c:12]2[c:13]([CH3:26])[c:14]([O:18][S:19]([C:20]([F:21])([F:22])[F:23])(=[O:24])=[O:25])[cH:15][cH:16][c:17]21)=[O:34].[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[Zn+2:119].[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([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)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6]([CH2:7][CH:8]1[N:9]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:10][CH2:11][c:12]2[c:13]([CH3:26])[c:14]([C:35]#[N:36])[cH:15][cH:16][c:17]21)=[O:34]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-3ceb9a9d3acc49bba4e25000a4acf796
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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