Trifluoroacetic acid → HCID 59525921, compound
Reaction equation
[Br:42][c:43]1[cH:44][c:45]([C:51](=[O:52])[NH2:53])[c:46]([N+:48](=[O:49])[O-:50])[s:47]1.[C:21]([C:22]([c:23]1[n:24][cH:25][c:26]([B:27]([OH:28])[OH:29])[cH:30][cH:31]1)([CH3:32])[CH3:33])#[N:34].[CH3:1][C:2]([C:3]#[N:4])([CH3:5])[c:6]1[n:7][cH:8][c:9]([B:12]2[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]2)[cH:10][cH:11]1.[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[OH:35][C:36]([C:37]([F:38])([F:39])[F:40])=[O:41].[cH:59]1[cH:60][cH:61][c:62]([P:63]([Pd:64]([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([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)([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([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)[P:103]([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135]1>>[CH3:1][C:2]([C:3]#[N:4])([CH3:5])[c:6]1[n:7][cH:8][c:9](-[c:43]2[cH:44][c:45]([C:51](=[O:52])[NH2:53])[c:46]([N+:48](=[O:49])[O-:50])[s:47]2)[cH:10][cH:11]1Participants
7
Sources & evidence
- ORD record
- ord-79b790b611c04344b34c40c0290a61e9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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