Acetic Acid → HCID 11950444, compound
Reaction equation
[C:38]([BH3-:39])#[N:40].[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH2:7][CH2:8][N:9]([C:10]([c:11]1[cH:12][cH:13][c:14]([CH2:17][NH:18][CH2:19][c:20]2[nH:21][cH:22][cH:23][n:24]2)[cH:15][cH:16]1)=[O:25])[CH3:26])[CH2:27][CH2:28][CH3:29].[CH3:30][n:31]1[c:32]([CH:36]=[O:37])[n:33][cH:34][cH:35]1.[CH3:42][C:43](=[O:44])[OH:45].[CH3:46][OH:47].[Na+:41]>>[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH2:7][CH2:8][N:9]([C:10]([c:11]1[cH:12][cH:13][c:14]([CH2:17][N:18]([CH2:19][c:20]2[nH:21][cH:22][cH:23][n:24]2)[CH2:36][c:32]2[n:31]([CH3:30])[cH:35][cH:34][n:33]2)[cH:15][cH:16]1)=[O:25])[CH3:26])[CH2:27][CH2:28][CH3:29]Participants
7
Sources & evidence
- ORD record
- ord-70a0c39d789a4a468394ac3dad35eca4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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