Acetic Acid → HCID 87100706, compound
Reaction equation
[C:1]([BH3-:2])#[N:3].[CH2:43]=[O:44].[CH3:39][C:40](=[O:41])[OH:42].[CH3:45][OH:46].[Cl:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[cH:13][c:14]3[c:15]([c:16](=[O:36])[n:17](-[c:20]4[cH:21][n:22][c:23]([N:26]5[CH2:27][CH:28]([NH:31][CH2:32][CH:33]([F:34])[F:35])[CH2:29][CH2:30]5)[cH:24][cH:25]4)[cH:18][cH:19]3)[s:37]2)[cH:10][cH:11]1.[ClH:38].[Na+:4]>>[CH3:1][N:31]([CH:28]1[CH2:27][N:26]([c:23]2[n:22][cH:21][c:20](-[n:17]3[c:16](=[O:36])[c:15]4[c:14]([cH:13][c:12](-[c:9]5[cH:8][cH:7][c:6]([Cl:5])[cH:11][cH:10]5)[s:37]4)[cH:19][cH:18]3)[cH:25][cH:24]2)[CH2:30][CH2:29]1)[CH2:32][CH:33]([F:34])[F:35]Participants
8
Sources & evidence
- ORD record
- ord-2f192202c5b64566aea9580e5edbbc44
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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