Benzoic Acid → HCID 18426172, compound
Reaction equation
[CH3:1][CH2:2][N:3]=[C:4]=[N:5][CH2:6][CH2:7][CH2:8][N:9]([CH3:10])[CH3:11].[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[Cl:64][CH2:65][Cl:66].[NH2:32][c:33]1[cH:34][cH:35][c:36]([CH2:37][N:38]2[CH2:39][CH2:40][CH:41]([CH2:44][NH:45][C:46]([CH2:47][NH:48][C:49]([c:50]3[cH:51][c:52]([C:56]([F:57])([F:58])[F:59])[cH:53][cH:54][cH:55]3)=[O:60])=[O:61])[CH2:42][CH2:43]2)[cH:62][cH:63]1.[OH2:12].[OH:13][n:14]1[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[n:21][n:22]1.[OH:23][C:24](=[O:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[C:24](=[O:25])([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[NH:32][c:33]1[cH:34][cH:35][c:36]([CH2:37][N:38]2[CH2:39][CH2:40][CH:41]([CH2:44][NH:45][C:46]([CH2:47][NH:48][C:49]([c:50]3[cH:51][c:52]([C:56]([F:57])([F:58])[F:59])[cH:53][cH:54][cH:55]3)=[O:60])=[O:61])[CH2:42][CH2:43]2)[cH:62][cH:63]1Participants
8
Sources & evidence
- ORD record
- ord-a0744413bcf944c7b9b25d0b892c52aa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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