Cyanide → HCID 69003486, compound
Reaction equation
[C-:122]#[N:123].[C-:125]#[N:126].[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([Cl:21])[c:8]([Cl:20])[c:9]([F:19])[c:10]1[NH:11][c:12]1[c:13]([F:18])[cH:14][cH:15][cH:16][cH:17]1.[CH3:22][N:23]1[CH2:24][CH2:25][CH2:26][C:27]1=[O:28].[Fe+2:65].[O:104]=[C:105]([CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1)[CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1.[O:68]=[C:69]([CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1)[CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[O:86]=[C:87]([CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1)[CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[Pd:66].[Pd:67].[Zn+2:124].[cH:29]1[cH:30][cH:31][c:32]([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c-:40]2[cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46]1.[cH:47]1[cH:48][cH:49][c:50]([P:51]([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]2)[cH:63][cH:64]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([C:22]#[N:23])[c:8]([Cl:20])[c:9]([F:19])[c:10]1[NH:11][c:12]1[c:13]([F:18])[cH:14][cH:15][cH:16][cH:17]1Participants
9
Sources & evidence
- ORD record
- ord-b54509c355c14c2d9b5905019c4b3ec2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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