Acetic Acid → HCID 87205158, compound
Reaction equation
[CH3:73][C:74]([CH3:75])([c:76]1[n:77][c:78]([C:82]([F:83])([F:84])[F:85])[n:79][cH:80][cH:81]1)[NH2:86].[CH3:87][C:88](=[O:89])[OH:90].[CH3:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[F:45][C:46]([O:47][c:48]1[cH:49][c:50]([CH:54]2[CH2:55][C:56](=[O:70])[C:57](=[O:69])[N:58]2[c:59]2[cH:60][cH:61][c:62]([C:65]([F:66])([F:67])[F:68])[cH:63][cH:64]2)[cH:51][cH:52][cH:53]1)([F:71])[F:72].[F:8][C:9]([F:10])([F:11])[c:12]1[cH:13][cH:14][c:15]([N:16]2[CH:17]([c:18]3[cH:19][cH:20][cH:21][c:22]([O:23][C:24]([F:25])([F:26])[F:27])[cH:28]3)[CH:29]=[C:30]([NH:31][CH:32]([c:33]3[cH:34][cH:35][c:36]([Cl:37])[cH:38][cH:39]3)[CH3:40])[C:41]2=[O:42])[cH:43][cH:44]1.[OH2:91].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[F:45][C:46]([O:47][c:48]1[cH:49][c:50]([CH:54]2[CH:55]=[C:56]([NH:86][C:74]([CH3:73])([CH3:75])[c:76]3[n:77][c:78]([C:82]([F:83])([F:84])[F:85])[n:79][cH:80][cH:81]3)[C:57](=[O:69])[N:58]2[c:59]2[cH:60][cH:61][c:62]([C:65]([F:66])([F:67])[F:68])[cH:63][cH:64]2)[cH:51][cH:52][cH:53]1)([F:71])[F:72]Participants
8
Sources & evidence
- ORD record
- ord-f9dac362b17648feacccabbb160e8396
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…