Acetic Acid → HCID 54401129, compound
Reaction equation
[Br:16].[Br:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[C:17]([OH:18])(=[O:19])[C:20]#[CH:21].[CH3:70][C:71](=[O:72])[OH:73].[F:1][c:2]1[cH:3][c:4]([N+:5]([O-:6])=[O:7])[cH:8][cH:9][c:10]1[CH:11]=[CH:12][C:13]([OH:14])=[O:15].[F:39][c:40]1[c:41]([C:63]#[C:64][C:65](=[O:66])[O:67][CH2:68][CH3:69])[cH:42][cH:43][c:44]([NH:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH3:62])[cH:45]1.[NH4+:81].[Na+:75].[O-:76][S:77](=[O:78])(=[O:79])[O-:80].[OH-:74].[OH-:82]>>[F:39][c:40]1[c:41]([C:63]#[C:64][C:65](=[O:66])[OH:67])[cH:42][cH:43][c:44]([NH:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH3:62])[cH:45]1Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-9e318d35a01149dd9b72b1b762c0dfee
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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