Cyanide → 8-cyano-2-isopropyl-2H-1,2,4-triazol-3-yl-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene
Reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:22][cH:23]1)-[c:6]1[n:7][c:8](-[c:14]3[n:15]([CH:19]([CH3:20])[CH3:21])[n:16][cH:17][n:18]3)[s:9][c:10]1[CH2:11][CH2:12][O:13]2.[C-:32]#[N:33].[C-:35]#[N:36].[CH2:29]([Cl:30])[Cl:31].[CH3:24][N:25]([CH3:26])[CH:27]=[O:28].[Zn+2:34].[cH:37]1[cH:38][cH:39][c:40]([P:41]([Pd:42]([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[cH:112][cH:113]1>>[c:2]1([C:24]#[N:25])[cH:3][c:4]2[c:5]([cH:22][cH:23]1)-[c:6]1[n:7][c:8](-[c:14]3[n:15]([CH:19]([CH3:20])[CH3:21])[n:16][cH:17][n:18]3)[s:9][c:10]1[CH2:11][CH2:12][O:13]2Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-edb06d603b2f4394a4909166fa7334a1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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