Ethyl Acetate → HCID 87392250, compound
Reaction equation
[C:1]([O:2][CH:3]([CH:4]([CH3:5])[N:6]([CH2:7][c:8]1[c:9](-[c:18]2[c:19]([O:28][CH3:29])[cH:20][c:21]([F:27])[c:22]([CH:24]([CH3:25])[CH3:26])[cH:23]2)[cH:10][cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]1)[C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[c:37]1[cH:38][c:39]([C:47]([F:48])([F:49])[F:50])[cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]1)([O:51][CH:52]1[CH2:53][O:54][CH:55]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[O:56][CH2:57]1)=[O:64].[CH3:65][CH2:66][O:67][C:68]([CH3:69])=[O:70]>>[C:1]([O:2][CH:3]([CH:4]([CH3:5])[N:6]([CH2:7][c:8]1[c:9](-[c:18]2[c:19]([O:28][CH3:29])[cH:20][c:21]([F:27])[c:22]([CH:24]([CH3:25])[CH3:26])[cH:23]2)[cH:10][cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]1)[C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[c:37]1[cH:38][c:39]([C:47]([F:48])([F:49])[F:50])[cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]1)([O:51][CH:52]([CH2:53][OH:54])[CH2:57][OH:56])=[O:64]Participants
3
Sources & evidence
- ORD record
- ord-ecac767c0e894d72b9a77e9ea6aff551
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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