Acetate → HCID 69425288, compound
Reaction equation
[C:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)(=[O:41])[c:42]1[cH:43][n:44][c:45]2[c:46]([C:70]([F:71])([F:72])[F:73])[cH:47][cH:48][cH:49][c:50]2[c:51]1-[c:52]1[cH:53][c:54]([NH:58][CH2:59][c:60]2[cH:61][cH:62][c:63]([CH2:64][C:65]([O-:66])=[O:67])[cH:68][cH:69]2)[cH:55][cH:56][cH:57]1.[C:80]([O-:81])(=[O:82])[CH3:83].[C:85]([O-:86])(=[O:87])[CH3:88].[CH3:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C:23](=[O:24])[OH:25].[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[CH3:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[Cu+2:84].[OH:1][B:2]([OH:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[n:26]1[c:27]([CH3:28])[cH:29][cH:30][cH:31][c:32]1[CH3:33]>>[c:4]1([NH:58][c:54]2[cH:53][c:52](-[c:51]3[c:42]([C:34]([c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)=[O:41])[cH:43][n:44][c:45]4[c:46]([C:70]([F:71])([F:72])[F:73])[cH:47][cH:48][cH:49][c:50]43)[cH:57][cH:56][cH:55]2)[cH:5][cH:6][cH:7][cH:8][cH:9]1Participants
9
Sources & evidence
- ORD record
- ord-0fddc7a648044dcb90262dfbb198e78d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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