Acetic Acid → HCID 50915115, compound
Reaction equation
[C:54](#[N:55])[CH3:56].[C:58]([OH:59])(=[O:60])[CH3:61].[CH2:22]1[O:23][CH2:24][CH2:25][O:26][CH2:27]1.[CH3:28][NH:29][C:30](=[O:31])[NH:32][c:33]1[cH:34][cH:35][c:36]([B:39]2[O:40][C:41]([CH3:42])([CH3:43])[C:44]([CH3:45])([CH3:46])[O:47]2)[cH:37][cH:38]1.[Cl:1][c:2]1[n:3][c:4]2[c:9]([cH:10][n:11]1)[N:8]([CH2:12][CH:13]1[CH2:14][CH2:15]1)[C:7](=[O:16])[C:6]1([CH3:21])[N:5]2[CH2:20][CH2:19][O:18][CH2:17]1.[Na+:52].[O-:48][C:49]([OH:50])=[O:51].[OH2:53].[OH2:57]>>[c:2]1(-[c:36]2[cH:35][cH:34][c:33]([NH:32][C:30]([NH:29][CH3:28])=[O:31])[cH:38][cH:37]2)[n:3][c:4]2[c:9]([cH:10][n:11]1)[N:8]([CH2:12][CH:13]1[CH2:14][CH2:15]1)[C:7](=[O:16])[C:6]1([CH3:21])[N:5]2[CH2:20][CH2:19][O:18][CH2:17]1Participants
9
Sources & evidence
- ORD record
- ord-e853b4a1595c4e2a90a8d01064df1fce
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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