Acetone → HCID 53704037, compound
Reaction equation
[CH3:83][C:84](=[O:85])[CH3:86].[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:14][C:15](=[O:16])[C:17]1=[C:24]([CH:25]=[CH:26][O:27][S:28](=[O:29])(=[O:30])[c:31]2[cH:32][cH:33][c:34]([CH3:35])[cH:36][cH:37]2)[CH2:23][S:22][CH:21]2[N:18]1[C:19](=[O:70])[CH:20]2[NH:38][C:39]([C:40]([c:41]1[n:42][c:43]([NH:46][C:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[s:44][cH:45]1)=[N:66][O:67][CH3:68])=[O:69].[OH2:71].[c:72]1([CH3:73])[cH:74][cH:75][c:76]([S:77]([OH:78])(=[O:79])=[O:80])[cH:81][cH:82]1>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:14][C:15](=[O:16])[C:17]1=[C:24]([CH:25]=[CH:26][O:27][S:28](=[O:29])(=[O:30])[c:31]2[cH:32][cH:33][c:34]([CH3:35])[cH:36][cH:37]2)[CH2:23][S:22][CH:21]2[N:18]1[C:19](=[O:70])[CH:20]2[NH:38][C:39]([C:40]([c:41]1[n:42][c:43]([NH2:46])[s:44][cH:45]1)=[N:66][O:67][CH3:68])=[O:69]Participants
5
Sources & evidence
- ORD record
- ord-b4fcaf754ba6434cb1da84de4d2d9233
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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