Water → HCID 178473242, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH3:26])[CH2:8][CH:9]([NH:18][c:19]2[n:20][cH:21][c:22]([Br:25])[cH:23][n:24]2)[c:10]2[n:11][c:12]([O:16][CH3:17])[cH:13][cH:14][c:15]21.[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[F:27][C:28]([c:29]1[cH:30][c:31]([CH2:32][Br:33])[cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]1)([F:41])[F:42].[OH2:43]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH3:26])[CH2:8][CH:9]([NH:18][c:19]2[n:20][c:21]([CH2:32][c:31]3[cH:30][c:29]([C:28]([F:27])([F:41])[F:42])[cH:36][c:35]([C:37]([F:38])([F:39])[F:40])[cH:34]3)[c:22]([Br:25])[cH:23][n:24]2)[c:10]2[n:11][c:12]([O:16][CH3:17])[cH:13][cH:14][c:15]21Participants
6
Sources & evidence
- ORD record
- ord-9457d1d7553f41a68ce3d5ffe8913998
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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