Ethyl Acetate → HCID 9986121, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]([NH:6][C:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]2[c:13]([c:21]1[CH3:22])[O:14][CH:15]([C:18](=[O:19])[OH:20])[CH2:16][O:17]2)[C:23]([c:24]1[cH:25][c:26]([CH3:31])[cH:27][c:28]([CH3:30])[cH:29]1)=[O:32].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[CH:45]1([N:46]=[C:47]=[N:48][CH:49]2[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]2)[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]1.[F:33][c:34]1[c:35]([F:44])[c:36]([F:43])[c:37]([F:42])[c:38]([F:41])[c:39]1[OH:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]([NH:6][C:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]2[c:13]([c:21]1[CH3:22])[O:14][CH:15]([C:18]([O:19][c:39]1[c:34]([F:33])[c:35]([F:44])[c:36]([F:43])[c:37]([F:42])[c:38]1[F:41])=[O:20])[CH2:16][O:17]2)[C:23]([c:24]1[cH:25][c:26]([CH3:31])[cH:27][c:28]([CH3:30])[cH:29]1)=[O:32]Participants
5
Sources & evidence
- ORD record
- ord-539e33372f494268bb6fd6ea5b5e471d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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