Acetic Acid → HCID 21471280, compound
Reaction equation
[C:69]([OH:70])(=[O:71])[CH3:72].[CH2:52]([N+:53]([CH2:54][CH2:55][CH2:56][CH3:57])([CH2:58][CH2:59][CH2:60][CH3:61])[CH2:62][CH2:63][CH2:64][CH3:65])[CH2:66][CH2:67][CH3:68].[CH2:76]1[O:77][CH2:78][CH2:79][CH2:80]1.[CH3:1][C:2]([Si:3]([c:4]1[cH:5][cH:39][cH:40][cH:41][cH:42]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:36]([CH3:37])[CH3:38])[n:21][c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[c:28]1-[c:29]1[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]1)[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)([CH3:49])[CH3:50].[CH3:81][OH:82].[F-:51].[N+:73](=[CH2:74])=[N-:75]>>[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:36]([CH3:37])[CH3:38])[n:21][c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[c:28]1-[c:29]1[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]1Participants
8
Sources & evidence
- ORD record
- ord-ef71a2723ed9498ab40f11638e9e8ff0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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