Cyanide → Tert-butyl 4-[2-(3-cyanophenyl)-2-(1-hydroxycyclohexyl)ethyl]piperazine-1-carboxylate
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH:8]([CH2:9][N:10]2[CH2:11][CH2:12][N:13]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:14][CH2:15]2)[C:23]2([OH:29])[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]2)[cH:5][cH:6][cH:7]1.[C-:35]#[N:36].[C-:38]#[N:39].[CH3:30][N:31]([CH3:32])[CH:33]=[O:34].[O:42]=[C:43]([CH:44]=[CH:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[O:60]=[C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[Pd:40].[Pd:41].[Zn+2:37].[Zn:96]>>[c:2]1([C:30]#[N:31])[cH:3][c:4]([CH:8]([CH2:9][N:10]2[CH2:11][CH2:12][N:13]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:14][CH2:15]2)[C:23]2([OH:29])[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]2)[cH:5][cH:6][cH:7]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-ddfacad3aff44d418d70d252770ff149
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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