Benzoic Acid → HCID 22467471, compound
Reaction equation
[F:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][C:7]([c:8]2[c:9]([NH:17][CH:18]3[CH2:19][CH2:20][CH:21]([OH:24])[CH2:22][CH2:23]3)[cH:10][cH:11][c:12]([N+:14](=[O:15])[O-:16])[cH:13]2)=[O:25])[cH:26][cH:27][c:28]1[O:29][CH3:30].[O:40]=[C:41]([O:42][CH2:43][CH3:44])[N:45]=[N:46][C:47]([O:48][CH2:49][CH3:50])=[O:51].[O:71]1[CH2:72][CH2:73][CH2:74][CH2:75]1.[OH:31][C:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)=[O:39].[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[F:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][C:7]([c:8]2[c:9]([NH:17][CH:18]3[CH2:19][CH:20]=[CH:21][CH2:22][CH2:23]3)[cH:10][cH:11][c:12]([N+:14](=[O:15])[O-:16])[cH:13]2)=[O:25])[cH:26][cH:27][c:28]1[O:29][CH3:30]Participants
6
Sources & evidence
- ORD record
- ord-1f105ef68c8f4668ac7d81c3d00e8255
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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