Acetic Acid → HCID 66941896, compound
Reaction equation
[C:49]([BH3-:50])#[N:51].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([N:10]([CH2:11][c:12]1[cH:13][cH:14][c:15]([NH:18][C:19]([c:20]2[cH:21][cH:22][c:23]([CH2:26][NH:27][CH2:28][c:29]3[nH:30][cH:31][cH:32][n:33]3)[cH:24][cH:25]2)=[O:34])[cH:16][cH:17]1)[CH:35]1[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1)=[O:41].[CH3:53][C:54](=[O:55])[OH:56].[CH3:57][OH:58].[Na+:52].[nH:42]1[c:43]([CH:47]=[O:48])[n:44][cH:45][cH:46]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([N:10]([CH2:11][c:12]1[cH:13][cH:14][c:15]([NH:18][C:19]([c:20]2[cH:21][cH:22][c:23]([CH2:26][N:27]([CH2:28][c:29]3[n:30][cH:31][cH:32][nH:33]3)[CH2:47][c:43]3[nH:42][cH:46][cH:45][n:44]3)[cH:24][cH:25]2)=[O:34])[cH:16][cH:17]1)[CH:35]1[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1)=[O:41]Participants
7
Sources & evidence
- ORD record
- ord-64230b7029f74d33b9231f6c8c8ebf69
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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