Acetic Acid → HCID 25117486, compound
Reaction equation
[C:44]([BH3-:45])#[N:46].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[CH3:48][C:49](=[O:50])[OH:51].[CH:29]([c:30]1[cH:31][c:32]([O:36][CH3:37])[cH:33][cH:34][cH:35]1)=[O:38].[NH2:1][c:2]1[n:3][nH:4][c:5]2[cH:6][cH:7][c:8](-[c:11]3[n:12][c:13](=[O:28])[nH:14][c:15](-[c:17]4[c:18]([O:23][CH2:24][CH:25]([CH3:26])[CH3:27])[cH:19][cH:20][cH:21][cH:22]4)[cH:16]3)[cH:9][c:10]12.[Na+:47]>>[NH:1]([c:2]1[n:3][nH:4][c:5]2[cH:6][cH:7][c:8](-[c:11]3[n:12][c:13](=[O:28])[nH:14][c:15](-[c:17]4[c:18]([O:23][CH2:24][CH:25]([CH3:26])[CH3:27])[cH:19][cH:20][cH:21][cH:22]4)[cH:16]3)[cH:9][c:10]12)[CH2:29][c:30]1[cH:31][c:32]([O:36][CH3:37])[cH:33][cH:34][cH:35]1Participants
7
Sources & evidence
- ORD record
- ord-086d4a80ccec4bca80d43e287e4d3a2d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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