Acetic Acid → HCID 135974936, compound
Reaction equation
[C:24](=[O:25])([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[N:31]1[CH:32]([C:37](=[O:38])[OH:39])[CH2:33][CH2:34][CH2:35][CH2:36]1.[CH3:52][C:53](=[O:54])[OH:55].[CH3:56][N:57]([CH3:58])[c:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1.[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[CH:40]([N:41]=[C:42]=[N:43][CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:65][CH2:66][Cl:67].[Li+:51].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:8]#[C:9][c:10]2[c:11](-[c:16]3[c:17]([OH:23])[cH:18][cH:19][c:20]([CH3:22])[cH:21]3)[n:12][n:13]([CH3:15])[cH:14]2)[cH:6][cH:7]1.[OH-:50].[OH2:49].[OH2:68]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:8]#[C:9][c:10]2[c:11](-[c:16]3[c:17]([OH:23])[cH:18][cH:19][c:20]([CH3:22])[cH:21]3)[n:12][n:13]([CH3:15])[cH:14]2)[cH:6][cH:7]1)[C:37]([CH:32]1[N:31]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:36][CH2:35][CH2:34][CH2:33]1)=[O:38]Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-bd40356503aa49f18d4e83fe7214225d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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