Ethyl Acetate → HCID 21114417, compound
Reaction equation
[CH3:38][N:39]1[CH2:40][CH2:41][CH2:42][C:43]1=[O:44].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[F:1][c:2]1[c:3]([N:9]2[C:10](=[O:31])[NH:11][CH2:12][c:13]3[c:14]2[n:15][c:16]([S:27]([CH3:28])(=[O:29])=[O:30])[n:17][c:18]3-[c:19]2[c:20]([CH3:26])[cH:21][c:22]([F:25])[cH:23][cH:24]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1.[NH2:32][CH:33]([CH2:34][OH:35])[CH2:36][OH:37]>>[F:1][c:2]1[c:3]([N:9]2[C:10](=[O:31])[NH:11][CH2:12][c:13]3[c:14]2[n:15][c:16]([NH:32][CH:33]([CH2:34][OH:35])[CH2:36][OH:37])[n:17][c:18]3-[c:19]2[c:20]([CH3:26])[cH:21][c:22]([F:25])[cH:23][cH:24]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-dbb2a29ab19b4bc297b72f8c07a0e3d2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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