Acetic Acid → HCID 67103666, compound
Reaction equation
[C:41]([BH3-:42])#[N:43].[CH3:1][O:2][C:3]([CH2:4][CH2:5][N:6]([CH2:7][CH2:8][CH2:9][CH2:10][N:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1)[CH2:17][c:18]1[cH:19][cH:20][c:21]([CH2:24][NH:25][CH2:26][c:27]2[nH:28][cH:29][cH:30][n:31]2)[cH:22][cH:23]1)=[O:32].[CH3:33][n:34]1[c:35]([CH:39]=[O:40])[n:36][cH:37][cH:38]1.[CH3:45][C:46](=[O:47])[OH:48].[CH3:49][OH:50].[Na+:44]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][N:6]([CH2:7][CH2:8][CH2:9][CH2:10][N:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1)[CH2:17][c:18]1[cH:19][cH:20][c:21]([CH2:24][N:25]([CH2:26][c:27]2[nH:28][cH:29][cH:30][n:31]2)[CH2:39][c:35]2[n:34]([CH3:33])[cH:38][cH:37][n:36]2)[cH:22][cH:23]1)=[O:32]Participants
7
Sources & evidence
- ORD record
- ord-a934d5c00c4c43f7bc5e0ff0569d35db
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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