Acetic Acid → HCID 68116017, compound
Reaction equation
[C:71]([OH:72])(=[O:73])[CH3:74].[CH2:54]([N+:55]([CH2:56][CH2:57][CH2:58][CH3:59])([CH2:60][CH2:61][CH2:62][CH3:63])[CH2:64][CH2:65][CH2:66][CH3:67])[CH2:68][CH2:69][CH3:70].[CH2:78]1[O:79][CH2:80][CH2:81][CH2:82]1.[CH3:1][C:2]([Si:3]([c:4]1[cH:5][cH:41][cH:42][cH:43][cH:44]1)([O:6][CH:7]([CH2:8][C:9](=[O:10])[OH:11])[CH2:12][P:13](=[O:14])([O:15][CH3:16])[C:17]#[C:18][c:19]1[c:20]([CH:38]([CH3:39])[CH3:40])[n:21][c:22](-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:23][c:24]1-[c:25]1[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]1)[c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)([CH3:51])[CH3:52].[CH3:84][CH2:85][O:86][CH2:87][CH3:88].[F-:53].[N+:75](=[CH2:76])=[N-:77].[OH2:83]>>[OH:6][CH:7]([CH2:8][C:9](=[O:10])[OH:11])[CH2:12][P:13](=[O:14])([O:15][CH3:16])[C:17]#[C:18][c:19]1[c:20]([CH:38]([CH3:39])[CH3:40])[n:21][c:22](-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:23][c:24]1-[c:25]1[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]1Participants
9
Sources & evidence
- ORD record
- ord-119c76344e1a49ce811c4aacb4c8c50b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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