Ammonium → HCID 91217284, compound
Reaction equation
[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH2:9][OH:10])[s:7][cH:8]1.[CH:31]1([n:34]2[cH:35][c:36]([CH:47]=[CH:48][C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[c:37](=[O:46])[c:38]3[cH:39][c:40]([F:45])[c:41]([F:44])[cH:42][c:43]23)[CH2:32][CH2:33]1.[Cl-:56].[H-:29].[NH4+:57].[Na+:30].[O:11]1[CH2:12][CH2:13][O:14][CH2:15][CH2:16][O:17][CH2:18][CH2:19][O:20][CH2:21][CH2:22][O:23][CH2:24][CH2:25][O:26][CH2:27][CH2:28]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH2:9][c:41]2[c:40]([F:45])[cH:39][c:38]3[c:37](=[O:46])[c:36]([CH:47]=[CH:48][C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[cH:35][n:34]([CH:31]4[CH2:32][CH2:33]4)[c:43]3[cH:42]2)[s:7][cH:8]1Participants
9
Sources & evidence
- ORD record
- ord-9f5c01b0ab0f48e8903eecf37693ed7b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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