Ethyl Acetate → HCID 57460096, compound
Reaction equation
[Br:1][c:2]1[c:3]([CH2:28][CH3:29])[n:4][c:5]([CH2:24][CH2:25][CH2:26][CH3:27])[n:6]([CH2:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[c:17]([C:22]#[N:23])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]2)[c:7]1=[O:8].[C:43](=[O:44])([O-:45])[O-:46].[CH2:49]1[O:50][CH2:51][CH2:52][O:53][CH2:54]1.[CH3:30][CH:31]1[O:32][c:33]2[c:34]([cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][cH:39]2)[CH2:35]1.[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cs+:47].[Cs+:48]>>[c:2]1(-[c:37]2[cH:36][c:34]3[c:33]([cH:39][cH:38]2)[O:32][CH:31]([CH3:30])[CH2:35]3)[c:3]([CH2:28][CH3:29])[n:4][c:5]([CH2:24][CH2:25][CH2:26][CH3:27])[n:6]([CH2:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[c:17]([C:22]#[N:23])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]2)[c:7]1=[O:8]Participants
7
Sources & evidence
- ORD record
- ord-ad30bb9acb4c4a079e72028da792da2e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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