Benzoic Acid → HCID 178468794, compound
Reaction equation
[C:29]([CH3:30])([CH3:31])([CH3:32])[O:33][C:34](=[O:35])[NH:36][CH:37]([C:38](=[O:39])[O:40][CH:41]([CH:42]([CH3:43])[OH:44])[CH3:45])[CH2:46][c:47]1[cH:48][c:49]([O:61][CH2:62][c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:50]([O:53][CH2:54][c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:51][cH:52]1.[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[CH3:72][N:73]([CH3:74])[c:75]1[cH:76][cH:77][n:78][cH:79][cH:80]1.[Cl:17][c:18]1[cH:19][c:20]([Cl:21])[cH:22][c:23]([Cl:24])[c:25]1[C:26]([Cl:27])=[O:28].[Cl:69][CH2:70][Cl:71].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[O:1]=[C:2]([O:3][CH:42]([CH:41]([O:40][C:38]([CH:37]([NH:36][C:34]([O:33][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:35])[CH2:46][c:47]1[cH:48][c:49]([O:61][CH2:62][c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:50]([O:53][CH2:54][c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:51][cH:52]1)=[O:39])[CH3:45])[CH3:43])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1Participants
7
Sources & evidence
- ORD record
- ord-5193aa7ce16543da823125649fbc12dd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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