Acetate → HCID 22645490, compound
Reaction equation
[CH2:1]([CH:2]=[CH2:3])[O:4][C:5](=[O:6])[c:7]1[cH:8][c:9]([CH2:10][O:11][CH2:12][CH:13]([C:14]#[N:15])[NH:16][C:17]([CH:18]([NH2:19])[CH2:20][c:21]2[cH:22][c:23]([CH3:27])[cH:24][cH:25][cH:26]2)=[O:28])[cH:29][cH:30][cH:31]1.[CH3:42][C:43](=[O:44])[O-:45].[Cl:52][CH2:53][Cl:54].[OH:32][B:33]([OH:34])[c:35]1[cH:36][cH:37][c:38]([F:39])[cH:40][cH:41]1.[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[CH2:1]([CH:2]=[CH2:3])[O:4][C:5](=[O:6])[c:7]1[cH:8][c:9]([CH2:10][O:11][CH2:12][CH:13]([C:14]#[N:15])[NH:16][C:17]([CH:18]([NH:19][c:35]2[cH:36][cH:37][c:38]([F:39])[cH:40][cH:41]2)[CH2:20][c:21]2[cH:22][c:23]([CH3:27])[cH:24][cH:25][cH:26]2)=[O:28])[cH:29][cH:30][cH:31]1Participants
6
Sources & evidence
- ORD record
- ord-b6bb685c28784cb4929e382494b6d612
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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