HCID 68774888, compound → HCID 11399357, compound
Reaction equation
[CH3:30][c:31]1[c:32]([C:33](=[O:34])[OH:35])[c:36]([CH3:46])[cH:37][c:38](-[c:40]2[cH:41][cH:42][n:43][cH:44][cH:45]2)[cH:39]1.[n:1]1[c:2]([O:7][CH:8]([CH:9]2[CH2:10][CH2:11][N:12]([CH:15]([CH2:16][CH2:17][NH2:18])[CH3:19])[CH2:13][CH2:14]2)[c:20]2[cH:21][cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]2)[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2]([O:7][CH:8]([CH:9]2[CH2:10][CH2:11][N:12]([CH:15]([CH2:16][CH2:17][NH:18][C:33]([c:32]3[c:31]([CH3:30])[cH:39][c:38](-[c:40]4[cH:41][cH:42][n:43][cH:44][cH:45]4)[cH:37][c:36]3[CH3:46])=[O:34])[CH3:19])[CH2:13][CH2:14]2)[c:20]2[cH:21][cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]2)[cH:3][cH:4][cH:5][cH:6]1Participants
3
Sources & evidence
- ORD record
- ord-7877bfbfa4774a2f92141f3d10f16814
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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