Acetic Acid → HCID 87423876, compound
Reaction equation
[CH3:70][C:71]([CH3:72])([c:73]1[cH:74][n:75][c:76]([C:79]([F:80])([F:81])[F:82])[cH:77][cH:78]1)[NH2:83].[CH3:84][C:85](=[O:86])[OH:87].[CH3:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[CH:43]1([O:44][c:45]2[cH:46][c:47]([CH:48]3[N:49]([c:50]4[cH:51][cH:52][c:53]([C:54]([F:55])([F:56])[F:57])[cH:58][cH:59]4)[C:60](=[O:61])[C:62](=[O:63])[CH2:64]3)[cH:65][cH:66][cH:67]2)[CH2:68][CH2:69]1.[OH2:95].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7].[c:8]1([CH:9]([NH:10][C:17]2=[CH:21][CH:20]([c:22]3[cH:23][c:24]([O:28][CH:29]4[CH2:30][CH2:31]4)[cH:25][cH:26][cH:27]3)[N:19]([c:32]3[cH:33][cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[cH:36][cH:37]3)[C:18]2=[O:42])[CH3:11])[cH:12][cH:13][cH:14][cH:15][cH:16]1>>[C:17]1([NH:83][C:71]([CH3:70])([CH3:72])[c:73]2[cH:74][n:75][c:76]([C:79]([F:80])([F:81])[F:82])[cH:77][cH:78]2)=[CH:21][CH:20]([c:22]2[cH:23][c:24]([O:28][CH:29]3[CH2:30][CH2:31]3)[cH:25][cH:26][cH:27]2)[N:19]([c:32]2[cH:33][cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[cH:36][cH:37]2)[C:18]1=[O:42]Participants
8
Sources & evidence
- ORD record
- ord-e844cc1bc018426a921cb452cec796d8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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