Cyanide → 1-(3-{[(1,1-Dimethylethyl)(dimethyl)silyl]oxy}propyl)-5-isoquinolinecarbonitrile
Reaction equation
[Br:1][c:2]1[c:3]2[cH:4][cH:5][n:6][c:7]([CH2:12][CH2:13][CH2:14][O:15][Si:16]([CH3:17])([CH3:18])[C:19]([CH3:20])([CH3:21])[CH3:22])[c:8]2[cH:9][cH:10][cH:11]1.[C-:34]#[N:35].[C-:37]#[N:38].[CH3:23][N:24]([CH3:25])[CH:26]=[O:27].[CH3:28][CH2:29][O:30][C:31](=[O:32])[CH3:33].[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:2]1([C:23]#[N:24])[c:3]2[cH:4][cH:5][n:6][c:7]([CH2:12][CH2:13][CH2:14][O:15][Si:16]([CH3:17])([CH3:18])[C:19]([CH3:20])([CH3:21])[CH3:22])[c:8]2[cH:9][cH:10][cH:11]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-a84e86f15a1f4883a125a56bfa0c7163
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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