Ethyl Acetate → HCID 46830963, compound
Reaction equation
[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[F:1][c:2]1[c:3]2[c:4]([CH2:42][CH2:43][CH2:44][C:45](=[O:46])[OH:47])[c:5]([CH3:41])[n:6]([CH2:35][CH2:36][CH2:37][C:38](=[O:39])[OH:40])[c:7]2[c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][CH2:22][CH2:23][c:24]3[c:25]([F:34])[c:26]([F:33])[c:27]([F:32])[c:28]([F:31])[c:29]3[F:30])[cH:17][cH:18]2)[cH:9][cH:10]1>>[F:1][c:2]1[c:3]2[c:4]([CH2:42][CH2:43][CH2:44][C:45](=[O:46])[OH:47])[c:5]([CH3:41])[n:6]([CH2:35][CH2:36][CH2:37][C:38](=[O:39])[OH:40])[c:7]2[c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][CH2:22][CH2:23][c:24]3[c:25]([F:34])[c:26]([F:33])[c:27]([F:32])[cH:28][c:29]3[F:30])[cH:17][cH:18]2)[cH:9][cH:10]1Participants
4
Sources & evidence
- ORD record
- ord-87acb1694f4d436999be9e9f212a01a5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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