Acetic Acid → HCID 57813407, compound
Reaction equation
[C:59]([O:60][BH-:61]([O:62][C:63](=[O:64])[CH3:65])[O:66][C:67](=[O:68])[CH3:69])(=[O:70])[CH3:71].[C:73]([OH:74])(=[O:75])[CH3:76].[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.[CH3:51][N:52]1[CH2:53][CH2:54][NH:55][CH2:56][CH2:57][CH2:58]1.[Cl:77][CH2:78][Cl:79].[Na+:72]>>[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:55]5[CH2:54][CH2:53][N:52]([CH3:51])[CH2:58][CH2:57][CH2:56]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-ae1518368997458fac9f98a983367cd8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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