Acetic Acid → HCID 44215055, compound
Reaction equation
[C:47]([BH3-:48])#[N:49].[CH3:43][C:44](=[O:45])[OH:46].[CH3:58][OH:59].[CH:1]12[CH2:2][CH2:3][CH:4]([CH2:5][CH2:6]1)[N:7]2[C:8]([C:9]([CH3:10])([CH3:11])[c:12]1[cH:13][c:14]2[c:15]([CH2:29][CH2:30][NH:31][CH2:32][CH2:33][CH2:34][CH2:35][c:36]3[cH:37][cH:38][n:39][cH:40][cH:41]3)[c:16](-[c:21]3[cH:22][c:23]([CH3:28])[cH:24][c:25]([CH3:27])[cH:26]3)[nH:17][c:18]2[cH:19][cH:20]1)=[O:42].[NH4+:52].[Na+:50].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH-:51]>>[CH:1]12[CH2:2][CH2:3][CH:4]([CH2:5][CH2:6]1)[N:7]2[C:8]([C:9]([CH3:10])([CH3:11])[c:12]1[cH:13][c:14]2[c:15]([CH2:29][CH2:30][N:31]([CH2:32][CH2:33][CH2:34][CH2:35][c:36]3[cH:37][cH:38][n:39][cH:40][cH:41]3)[CH3:43])[c:16](-[c:21]3[cH:22][c:23]([CH3:28])[cH:24][c:25]([CH3:27])[cH:26]3)[nH:17][c:18]2[cH:19][cH:20]1)=[O:42]Participants
9
Sources & evidence
- ORD record
- ord-268104d1c894424a822acb86165e0d70
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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