Benzoate → HCID 69968349, compound
Reaction equation
[Ag+:67].[C:58]([O-:59])(=[O:60])[c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([C:7](=[O:8])[O-:9])[cH:10][cH:11][c:12]1[O:13][CH2:14][CH2:15][CH2:16][O:17][c:18]1[cH:19][cH:20][c:21]2[c:22]([CH2:30][C:31]([CH3:32])([CH3:33])[CH3:34])[n:23][o:24][c:25]2[c:26]1[CH2:27][CH2:28][CH3:29].[CH2:48]([Cl:49])[Cl:50].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:56][OH:57].[Cl:35][C:36]([C:37]([Cl:38])=[O:39])=[O:40].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([C:7](=[O:8])[O:9][CH3:36])[cH:10][cH:11][c:12]1[O:13][CH2:14][CH2:15][CH2:16][O:17][c:18]1[cH:19][cH:20][c:21]2[c:22]([CH2:30][C:31]([CH3:32])([CH3:33])[CH3:34])[n:23][o:24][c:25]2[c:26]1[CH2:27][CH2:28][CH3:29]Participants
9
Sources & evidence
- ORD record
- ord-100b1002a76f44c1b7cb29fdb4ef4c05
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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