Acetic Acid → HCID 44242760, compound
Reaction equation
[C:58]([OH:59])(=[O:60])[CH3:61].[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:42][CH3:43])[c:10]([CH2:19][NH:20][C:21]([CH2:22][C:23](=[O:24])[NH:25][CH2:26][c:27]1[cH:28][c:29](-[c:33]3[cH:34][c:35]([CH:39]=[O:40])[cH:36][cH:37][cH:38]3)[cH:30][cH:31][cH:32]1)=[O:41])[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[CH3:69][S:70](=[O:71])[CH3:72].[CH:44]12[N:45]([C:51]([O:52][C:53]([CH3:54])([CH3:55])[CH3:56])=[O:57])[CH2:46][CH:47]([NH:48][CH2:49]1)[CH2:50]2.[Cl:73][CH2:74][Cl:75].[F:62][C:63]([F:64])([F:65])[C:66]([OH:67])=[O:68]>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:42][CH3:43])[c:10]([CH2:19][NH:20][C:21]([CH2:22][C:23](=[O:24])[NH:25][CH2:26][c:27]1[cH:28][c:29](-[c:33]3[cH:34][c:35]([CH2:39][N:45]4[CH:44]5[CH2:49][NH:48][CH:47]([CH2:46]4)[CH2:50]5)[cH:36][cH:37][cH:38]3)[cH:30][cH:31][cH:32]1)=[O:41])[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1Participants
7
Sources & evidence
- ORD record
- ord-fdd8b72f993c42afb31e0d5c742e3e07
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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