Cyanide → methyl 2-(5-cyano-4-methyl-2,3-dihydro-1H-inden-1-yl)acetate
Reaction equation
[C-:31]#[N:32].[C-:34]#[N:35].[CH3:24][N:25]1[CH2:26][CH2:27][CH2:28][C:29]1=[O:30].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[c:8]([CH3:21])[c:9]2[c:13]([cH:14][cH:15]1)[CH:12]([CH2:16][C:17](=[O:18])[O:19][CH3:20])[CH2:11][CH2:10]2)(=[O:22])=[O:23].[Fe+2:128].[O:38]=[C:39]([CH:40]=[CH:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[CH:48]=[CH:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[O:56]=[C:57]([CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)[CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[Pd:36].[Pd:37].[Zn+2:33].[cH:110]1[cH:111][cH:112][c:113]([P:114]([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c-:121]2[cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1.[cH:92]1[cH:93][cH:94][c:95]([P:96]([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]2)[cH:108][cH:109]1>>[c:7]1([C:24]#[N:25])[c:8]([CH3:21])[c:9]2[c:13]([cH:14][cH:15]1)[CH:12]([CH2:16][C:17](=[O:18])[O:19][CH3:20])[CH2:11][CH2:10]2Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-1467190d655246ce93e795ca90c42857
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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