Acetic Acid → HCID 178524057, compound
Reaction equation
[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:75][OH:76].[CH3:82][C:83](=[O:84])[OH:85].[NH:8]([C:9]([CH:10]1[CH2:12][CH2:13][N:14]([C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[CH2:22][CH2:23]1)=[O:11])[NH2:24].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[c:33]1(-[c:39]2[c:40](-[c:51]3[cH:52][cH:53][c:54]([CH2:57][N:58]4[CH2:59][CH2:60][CH:61]([c:64]5[n:65][nH:66][c:67](-[c:69]6[n:70][cH:71][cH:72][cH:73][cH:74]6)[n:68]5)[CH2:62][CH2:63]4)[cH:55][cH:56]3)[n:41][c:42]3[n:43]([cH:44]2)[n:45][c:46]([C:48](=[O:49])[NH2:50])[cH:47]3)[cH:34][cH:35][cH:36][cH:37][cH:38]1.[n:25]1[cH:26][cH:27][cH:28][cH:29][c:30]1[C:31]#[N:32]>>[O:11]=[C:48]([c:46]1[n:45][n:43]2[c:42]([n:41][c:40](-[c:51]3[cH:52][cH:53][c:54]([CH2:57][N:58]4[CH2:59][CH2:60][CH:61]([c:64]5[n:65][nH:66][c:67](-[c:69]6[n:70][cH:71][cH:72][cH:73][cH:74]6)[n:68]5)[CH2:62][CH2:63]4)[cH:55][cH:56]3)[c:39](-[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:44]2)[cH:47]1)[OH:49]Participants
8
Sources & evidence
- ORD record
- ord-16e0bdd266c545678af8332b78768458
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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