Acetic Acid → HCID 54053611, compound
Reaction equation
[CH3:1][C:2]1([CH3:44])[O:3][CH2:4][C:5]([CH3:42])([CH3:43])[CH:6]([C:8](=[O:9])[NH:10][CH2:11][CH2:12][C:13](=[O:14])[O:15][c:16]2[cH:17][cH:18][c:19]([NH:22][C:23]([CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH:31]=[CH:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40])=[O:41])[cH:20][cH:21]2)[O:7]1.[CH3:45][C:46](=[O:47])[OH:48].[OH2:49]>>[OH:3][CH2:4][C:5]([CH:6]([OH:7])[C:8](=[O:9])[NH:10][CH2:11][CH2:12][C:13](=[O:14])[O:15][c:16]1[cH:17][cH:18][c:19]([NH:22][C:23]([CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH:31]=[CH:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40])=[O:41])[cH:20][cH:21]1)([CH3:42])[CH3:43]Participants
4
Sources & evidence
- ORD record
- ord-60c6123625c6491f8e6c768b9d95afb1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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