Acetic Acid → 2-[6-fluoro-3-(2-propynyl)-2(3H)-benzothiazolon-5-yl]-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione
Reaction equation
[C:16]1(=[O:26])[C:17]2=[C:18]([C:19](=[O:20])[O:21]1)[CH2:22][CH2:23][CH2:24][CH2:25]2.[CH3:28][C:29](=[O:30])[OH:31].[NH2:1][c:2]1[c:3]([F:15])[cH:4][c:5]2[c:6]([n:7]([CH2:11][C:12]#[CH:13])[c:8](=[O:10])[s:9]2)[cH:14]1.[OH2:27]>>[N:1]1([c:2]2[c:3]([F:15])[cH:4][c:5]3[c:6]([n:7]([CH2:11][C:12]#[CH:13])[c:8](=[O:10])[s:9]3)[cH:14]2)[C:16](=[O:21])[C:17]2=[C:18]([C:19]1=[O:20])[CH2:22][CH2:23][CH2:24][CH2:25]2Participants
5
Sources & evidence
- ORD record
- ord-ecf960226139453686731c55bba623f7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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