Acetic Acid → HCID 57813488, compound
Reaction equation
[C:64]([O:65][BH-:66]([O:67][C:68](=[O:69])[CH3:70])[O:71][C:72](=[O:73])[CH3:74])(=[O:75])[CH3:76].[C:78]([OH:79])(=[O:80])[CH3:81].[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:82][CH2:83][Cl:84].[N:51]1([C:57]([O:58][C:59]([CH3:60])([CH3:61])[CH3:62])=[O:63])[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]1.[Na+:77]>>[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]([CH2:57][N:51]5[CH2:52][CH2:53][NH:54][CH2:55][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-452a4b2d53c344d5bc09b2d2fc05d5ae
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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