Acetic Acid → HCID 57860929, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:31][CH:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([C:14](=[O:15])[NH:16][c:17]3[n:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[cH:24][c:25]([F:28])[cH:26][cH:27]2)[cH:29][cH:30]1.[CH3:38][C:39](=[O:40])[OH:41].[CH3:42][OH:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:31][CH:32]2[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]2)[c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([C:14](=[O:15])[NH:16][c:17]3[n:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[cH:24][c:25]([F:28])[cH:26][cH:27]2)[cH:29][cH:30]1Participants
4
Sources & evidence
- ORD record
- ord-2d3fcd7f73684737acf80eaf47ba4af6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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