Acetic Acid → HCID 68431610, compound
Reaction equation
[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[CH2:13]([CH2:14][CH2:15][CH3:16])[c:17]1[n:18]([CH2:31][CH2:32][CH2:33][NH:34][CH:35]2[CH2:36][CH2:37][N:38]([CH3:41])[CH2:39][CH2:40]2)[c:19]2[c:20]([c:21]([NH2:29])[n:22][c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]23)[n:30]1.[CH3:56][C:57](=[O:58])[OH:59].[CH3:60][N:61]1[CH2:62][CH2:63][CH2:64][C:65]1=[O:66].[CH3:67][OH:68].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([CH2:9][C:10](=[O:11])[OH:12])[cH:7][cH:8]1.[Na+:55]>>[CH2:1]([c:3]1[cH:4][cH:5][c:6]([CH2:9][C:10](=[O:11])[OH:12])[cH:7][cH:8]1)[N:34]([CH2:33][CH2:32][CH2:31][n:18]1[c:17]([CH2:13][CH2:14][CH2:15][CH3:16])[n:30][c:20]2[c:19]1[c:28]1[c:23]([n:22][c:21]2[NH2:29])[cH:24][cH:25][cH:26][cH:27]1)[CH:35]1[CH2:36][CH2:37][N:38]([CH3:41])[CH2:39][CH2:40]1Participants
8
Sources & evidence
- ORD record
- ord-73f8d4774da2408f9fd4fffe59273497
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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