Acetic Acid → HCID 57813396, compound
Reaction equation
[C:65]([O:66][BH-:67]([O:68][C:69](=[O:70])[CH3:71])[O:72][C:73](=[O:74])[CH3:75])(=[O:76])[CH3:77].[C:79]([OH:80])(=[O:81])[CH3:82].[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:49][CH3:50])[c:10]([CH2:19][NH:20][C:21](=[O:22])[c:23]1[cH:24][c:25]([C:29](=[O:30])[NH:31][CH2:32][c:33]3[cH:34][c:35](-[c:41]4[cH:42][c:43]([CH:47]=[O:48])[cH:44][cH:45][cH:46]4)[cH:36][cH:37][c:38]3[O:39][CH3:40])[cH:26][cH:27][cH:28]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[Cl:83][CH2:84][Cl:85].[N:51]1([C:58]([O:59][C:60]([CH3:61])([CH3:62])[CH3:63])=[O:64])[CH2:52][CH2:53][NH:54][CH2:55][CH2:56][CH2:57]1.[Na+:78]>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:49][CH3:50])[c:10]([CH2:19][NH:20][C:21](=[O:22])[c:23]1[cH:24][c:25]([C:29](=[O:30])[NH:31][CH2:32][c:33]3[cH:34][c:35](-[c:41]4[cH:42][c:43]([CH2:47][N:51]5[CH2:52][CH2:53][NH:54][CH2:55][CH2:56][CH2:57]5)[cH:44][cH:45][cH:46]4)[cH:36][cH:37][c:38]3[O:39][CH3:40])[cH:26][cH:27][cH:28]1)[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-1d09fd84d3de46b789911d16c5cf6101
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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