Acetic Acid → HCID 21186273, compound
Reaction equation
[CH3:34][C:35](=[O:36])[OH:37].[CH3:39][C:40]([CH3:41])=[O:42].[ClH:38].[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][cH:10][cH:11][cH:12][c:13]2[S:14](=[O:15])(=[O:16])[N:17]([c:18]2[n:19][cH:20][c:21]([CH3:26])[n:22][c:23]2[O:24][CH3:25])[C:27](=[O:28])[O:29][CH2:30][CH:31]([CH3:32])[CH3:33])[cH:6][cH:7]1.[OH2:43]>>[NH:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][cH:10][cH:11][cH:12][c:13]2[S:14](=[O:15])(=[O:16])[N:17]([c:18]2[n:19][cH:20][c:21]([CH3:26])[n:22][c:23]2[O:24][CH3:25])[C:27](=[O:28])[O:29][CH2:30][CH:31]([CH3:32])[CH3:33])[cH:6][cH:7]1)[CH:40]([CH3:39])[CH3:41]Participants
6
Sources & evidence
- ORD record
- ord-310a926b0de54339bc5f2618f4cb9921
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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