Acetic Acid → HCID 21093615, compound
Reaction equation
[C:69]([OH:70])(=[O:71])[CH3:72].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]([CH:21]=[CH2:22])[CH2:10][N:11]([CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:12][CH2:13]1.[CH3:67][OH:68].[CH:23]12[CH2:24][CH2:25][CH2:26][CH:27]([BH:28]1)[CH2:29][CH2:30][CH2:31]2.[I:32][c:33]1[cH:34][c:35]([O:39][CH3:40])[cH:36][cH:37][cH:38]1.[NH2:62][CH2:63][CH2:64][OH:65].[Na+:61].[OH-:60].[OH2:66].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]([CH2:21][CH2:22][c:33]2[cH:34][c:35]([O:39][CH3:40])[cH:36][cH:37][cH:38]2)[CH2:10][N:11]([CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:12][CH2:13]1Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-c69a4e5a421e4928a9a3fd3bd4432c92
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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