Benzoic Acid → HCID 178501573, compound
Reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][CH:21]([CH:22]([OH:23])[CH3:24])[C:25](=[O:26])[O:27][CH3:28].[CH2:80]1[O:81][CH2:82][CH2:83][CH2:84]1.[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[CH3:69][CH2:70][O:71][CH2:72][CH3:73].[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[Na+:68].[O-:64][C:65]([OH:66])=[O:67].[OH:29][C:30](=[O:31])[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][CH:21]([CH:22]([O:23][C:30](=[O:29])[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[CH3:24])[C:25](=[O:26])[O:27][CH3:28]Participants
10
Sources & evidence
- ORD record
- ord-471b3c541afe4479bcc948a8e13bea3d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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