Acetic Acid → HCID 178488173, compound
Reaction equation
[C:47]([O:48][BH-:49]([O:50][C:51](=[O:52])[CH3:53])[O:54][C:55](=[O:56])[CH3:57])(=[O:58])[CH3:59].[CH3:67][C:68](=[O:69])[OH:70].[Cl:63][CH:64]([Cl:65])[CH3:66].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8](-[c:33]1[cH:34][cH:35][c:36]([CH:39]=[O:40])[cH:37][cH:38]1)[n:9][c:10]2-[c:11]1[cH:12][c:13]([O:31][CH3:32])[c:14]([NH:17][C:18]([c:19]2[c:20]([F:29])[cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)=[O:30])[cH:15][cH:16]1.[Na+:60].[Na+:62].[OH-:61].[OH:41][CH:42]1[CH2:43][NH:44][CH2:45][CH2:46]1>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8](-[c:33]1[cH:34][cH:35][c:36]([CH2:39][N:44]3[CH2:43][CH:42]([OH:41])[CH2:46][CH2:45]3)[cH:37][cH:38]1)[n:9][c:10]2-[c:11]1[cH:12][c:13]([O:31][CH3:32])[c:14]([NH:17][C:18]([c:19]2[c:20]([F:29])[cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)=[O:30])[cH:15][cH:16]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-a08c83ddf29e4e8ab3492550718603a8
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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