Ammonium → HCID 69217391, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]=[C:6]([c:7]1[cH:8][c:9]2[c:10]([n:11][c:12]([S:15]([CH3:16])(=[O:17])=[O:18])[n:13][cH:14]2)[n:19]1-[c:20]1[c:21]([F:27])[cH:22][cH:23][cH:24][c:25]1[F:26])[c:28]1[c:29]([Cl:34])[cH:30][cH:31][cH:32][cH:33]1)=[O:35].[CH3:53][N:54]1[CH2:55][CH2:56][CH2:57][C:58]1=[O:59].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[Cl-:60].[ClH:45].[NH2:46][CH:47]([C:48]([CH3:49])([OH:50])[CH3:51])[CH3:52].[NH4+:61]>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]=[C:6]([c:7]1[cH:8][c:9]2[c:10]([n:11][c:12]([NH:46][CH:47]([C:48]([CH3:49])([OH:50])[CH3:51])[CH3:52])[n:13][cH:14]2)[n:19]1-[c:20]1[c:21]([F:27])[cH:22][cH:23][cH:24][c:25]1[F:26])[c:28]1[c:29]([Cl:34])[cH:30][cH:31][cH:32][cH:33]1)=[O:35]Participants
8
Sources & evidence
- ORD record
- ord-26d94810f34f45bbb85b4a9d699994d8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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