Acetic Acid → HCID 25160189, compound
Reaction equation
[C:29]([BH3-:30])#[N:31].[CH2:27]=[O:28].[CH3:33][C:34](=[O:35])[OH:36].[CH3:37][C:38]#[N:39].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][n:6][nH:7][c:8]2[c:9]([CH:11]([CH3:12])[O:13][CH2:14][C:15]2([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]2)[cH:10]1.[Na+:32]>>[Cl:1][c:2]1[cH:3][c:4]2[cH:5][n:6][nH:7][c:8]2[c:9]([CH:11]([CH3:12])[O:13][CH2:14][C:15]2([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:16][CH2:17][N:18]([CH3:29])[CH2:19][CH2:20]2)[cH:10]1Participants
7
Sources & evidence
- ORD record
- ord-d6ba7d0c0d95402797a93c71a22d4196
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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