Acetic Acid → HCID 10154962, compound
Reaction equation
[C:33]([BH3-:34])#[N:35].[CH2:28]1[O:29][CH2:30][CH2:31][CH2:32]1.[CH3:24][C:25]([CH3:26])=[O:27].[CH3:37][C:38](=[O:39])[OH:40].[CH3:41][OH:42].[Na+:36].[c:1]1([CH2:7][CH2:8][CH2:9][NH:10][CH:11]2[CH2:12][CH2:13][CH:14]([c:17]3[cH:18][cH:19][c:20]([OH:23])[cH:21][cH:22]3)[CH2:15][CH2:16]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][CH2:9][N:10]([CH:11]2[CH2:12][CH2:13][CH:14]([c:17]3[cH:18][cH:19][c:20]([OH:23])[cH:21][cH:22]3)[CH2:15][CH2:16]2)[CH:25]([CH3:24])[CH3:26])[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
8
Sources & evidence
- ORD record
- ord-6bf20c8d2a824822bbb8b4f54c63708e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…