Trifluoroacetic acid → HCID 178480815, compound

HRID 1550251Notes

Reaction equation

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10](-[c:41]3[cH:42][o:43][c:44]([CH2:46][N:47]4[CH2:48][CH2:49][N:50]([CH3:53])[CH2:51][CH2:52]4)[cH:45]3)[c:11]3[c:12]2[n:13][cH:14][cH:15][c:16]3[O:17][c:18]2[c:19]([F:40])[cH:20][c:21]([N:24]([C:25](=[O:26])[C:27]3([C:30](=[O:31])[NH2:32])[CH2:28][CH2:29]3)[c:33]3[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]3)[cH:22][cH:23]2)[cH:54][cH:55]1.[CH3:56][O:57][c:58]1[cH:59][cH:60][c:61]([CH2:62][n:63]2[c:64]3[n:65][cH:66][cH:67][c:68]([O:69][c:70]4[cH:71][cH:72][c:73]([N:74]([c:75]5[cH:76][cH:77][c:78]([F:79])[cH:80][cH:81]5)[C:82]([C:83]5([C:84]([NH2:85])=[O:86])[CH2:87][CH2:88]5)=[O:89])[cH:90][c:91]4[F:92])[c:93]3[c:94](-[c:95]3[o:96][c:97]([CH2:98][N:99]4[CH2:100][CH2:101][N:102]([CH3:103])[CH2:104][CH2:105]4)[cH:106][c:107]3[Br:108])[n:109]2)[cH:110][cH:111]1.[F:112][C:113]([F:114])([F:115])[C:116]([OH:117])=[O:118]>>[nH:8]1[n:9][c:10](-[c:41]2[cH:42][o:43][c:44]([CH2:46][N:47]3[CH2:48][CH2:49][N:50]([CH3:53])[CH2:51][CH2:52]3)[cH:45]2)[c:11]2[c:12]1[n:13][cH:14][cH:15][c:16]2[O:17][c:18]1[c:19]([F:40])[cH:20][c:21]([N:24]([C:25](=[O:26])[C:27]2([C:30](=[O:31])[NH2:32])[CH2:28][CH2:29]2)[c:33]2[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]2)[cH:22][cH:23]1

Participants

Reactant 3

HCID 6422Trifluoroacetic acid

HCID 68512150N-(4-(1-(4-methoxybenzyl)-3-(5-((4-methylpiperazin-1-yl)methyl)furan-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

HCID 68516486N-(4-(1-(4-methoxybenzyl)-3-(3-bromo-5-((4-methylpiperazin-1-yl)methyl)furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

Product 1

HCID 178480815HCID 178480815, compound

Sources & evidence

ORD record: ord-276f72445e1940298da869c13246723e
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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