Acetic Acid → HCID 11753221, compound
Reaction equation
[C:1]([O:2][C:6]([NH:7][CH:8]([CH:9]([CH2:10][NH:11][C:12]1([c:22]2[cH:23][c:24]([Br:28])[cH:25][cH:26][cH:27]2)[CH2:13][CH2:14][C:15]2([O:16][CH2:17][CH2:18][O:19]2)[CH2:20][CH2:21]1)[OH:29])[CH2:30][c:31]1[cH:32][c:33]([F:38])[cH:34][c:35]([F:37])[cH:36]1)=[O:39])([CH3:3])([CH3:4])[CH3:5].[CH2:63]([N:64]=[C:65]=[N:66][CH2:67][CH2:68][CH2:69][N:70]([CH3:71])[CH3:72])[CH3:73].[CH3:40][N:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[CH3:47][C:48](=[O:49])[OH:50].[Cl:81][CH2:82][Cl:83].[ClH:62].[OH2:51].[OH:52][n:53]1[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1.[OH:74][C:75]([C:76]([F:77])([F:78])[F:79])=[O:80]>>[C:6]([NH:7][CH:8]([CH:9]([CH2:10][NH:11][C:12]1([c:22]2[cH:23][c:24]([Br:28])[cH:25][cH:26][cH:27]2)[CH2:13][CH2:14][C:15]2([O:16][CH2:17][CH2:18][O:19]2)[CH2:20][CH2:21]1)[OH:29])[CH2:30][c:31]1[cH:32][c:33]([F:38])[cH:34][c:35]([F:37])[cH:36]1)(=[O:39])[CH3:40]Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-88236e1644c5426fba0b91e6edda3dc5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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