Acetic Acid → HCID 178456727, compound
Reaction equation
[C:101]([BH3-:102])#[N:103].[C:113]([OH:114])(=[O:115])[CH3:116].[CH3:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[CH3:45][C:46]([NH2:47])([c:48]1[cH:49][cH:50][cH:51][c:52]([C:53]([F:54])([F:55])[F:56])[n:57]1)[CH3:58].[CH3:59][C:60]([CH3:61])([c:62]1[n:63][c:64]([C:68]([F:69])([F:70])[F:71])[cH:65][cH:66][cH:67]1)[NH:72][C:73]1=[CH:77][CH:76]([c:78]2[cH:79][c:80]([O:84][C:85]([F:86])([F:87])[F:88])[cH:81][cH:82][cH:83]2)[N:75]([c:89]2[cH:90][cH:91][c:92]([O:95][C:96]([F:97])([F:98])[F:99])[cH:93][cH:94]2)[C:74]1=[O:100].[CH3:8][C:9]([NH:10][CH:11]1[CH2:12][CH:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[N:20]([c:21]2[cH:22][cH:23][c:24]([O:25][C:26]([F:27])([F:28])[F:29])[cH:30][cH:31]2)[C:32]1=[O:33])([c:34]1[cH:35][cH:36][cH:37][c:38]([C:39]([F:40])([F:41])[F:42])[n:43]1)[CH3:44].[Na+:104].[OH2:112].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[CH3:59][C:60]([CH3:61])([c:62]1[n:63][c:64]([C:68]([F:69])([F:70])[F:71])[cH:65][cH:66][cH:67]1)[NH:72][CH:73]1[C:74](=[O:100])[N:75]([c:89]2[cH:90][cH:91][c:92]([O:95][C:96]([F:97])([F:98])[F:99])[cH:93][cH:94]2)[CH:76]([c:78]2[cH:79][c:80]([O:84][C:85]([F:86])([F:87])[F:88])[cH:81][cH:82][cH:83]2)[CH2:77]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-93095e5c9fcb4f21802547d3fb9cb1a4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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