Cyanide → HCID 45123327, compound
Reaction equation
[C-:33]#[N:34].[C-:36]#[N:37].[C:1]([CH3:2])(=[O:3])[n:4]1[c:5]([CH2:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:6][c:7]2[c:8]1[n:9][cH:10][cH:11][c:12]2[I:13].[CH3:22][N:23]([CH3:24])[CH:25]=[O:26].[CH3:27][CH2:28][O:29][C:30](=[O:31])[CH3:32].[Zn+2:35].[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114]1>>[C:1]([CH3:2])(=[O:3])[n:4]1[c:5]([CH2:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:6][c:7]2[c:8]1[n:9][cH:10][cH:11][c:12]2[C:22]#[N:23]Participants
7
Sources & evidence
- ORD record
- ord-6e3f868a84684742b292383eb54fcde8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…