Acetonitrile → HCID 20696905, compound
Reaction equation
[CH2:1]([CH:2]=[CH2:3])[O:4][C:5]([CH2:6][CH:7]([C:8](=[O:9])[NH:10][CH:11]([C:12]([CH3:13])([CH3:14])[CH3:15])[C:16]([NH:17][CH3:18])=[O:19])[n:20]1[cH:21][c:22]([C:25]([CH2:26][c:27]2[cH:28][cH:29][c:30]([C:33]#[N:34])[cH:31][cH:32]2)=[O:35])[cH:23][cH:24]1)=[O:36].[CH2:37]1[NH:38][CH2:39][CH2:40][O:41][CH2:42]1.[CH3:43][C:44]#[N:45].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([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][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122]1>>[O:4]=[C:5]([CH2:6][CH:7]([C:8](=[O:9])[NH:10][CH:11]([C:12]([CH3:13])([CH3:14])[CH3:15])[C:16]([NH:17][CH3:18])=[O:19])[n:20]1[cH:21][c:22]([C:25]([CH2:26][c:27]2[cH:28][cH:29][c:30]([C:33]#[N:34])[cH:31][cH:32]2)=[O:35])[cH:23][cH:24]1)[OH:36]Participants
5
Sources & evidence
- ORD record
- ord-b1a060287a524db1a121a60ef82af48e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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