Ethyl Acetate → HCID 57460067, compound
Reaction equation
[Br:1][c:2]1[c:3]([CH2:27][CH3:28])[n:4][c:5]([CH2:24][CH2:25][CH3:26])[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:39](=[O:40])([O-:41])[O-:42].[CH2:45]1[O:46][CH2:47][CH2:48][O:49][CH2:50]1.[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cs+:43].[Cs+:44].[OH:29][B:30]([OH:31])[c:32]1[cH:33][cH:34][c:35]([F:36])[cH:37][cH:38]1>>[c:2]1(-[c:32]2[cH:33][cH:34][c:35]([F:36])[cH:37][cH:38]2)[c:3]([CH2:27][CH3:28])[n:4][c:5]([CH2:24][CH2:25][CH3:26])[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-ace1ceeb6f1544678cf60f42e5c0cece
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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