Benzoic Acid → HCID 68673548, compound
Reaction equation
[CH2:11]([CH3:12])[N:13]1[c:14]2[c:15]([cH:25][c:26]([O:29][CH2:30][CH2:31][CH2:32][N:33]([CH2:34][c:35]3[cH:36][cH:37][n:38][cH:39][cH:40]3)[CH2:41][CH2:42][NH:43][CH3:44])[cH:27][cH:28]2)[N:16]([CH3:24])[C:17](=[O:23])[C:18]([CH3:21])([CH3:22])[C:19]1=[O:20].[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[OH:45][C:46](=[O:47])[c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[P:1]([C:2]#[N:3])(=[O:4])([O:5][CH2:6][CH3:7])[O:8][CH2:9][CH3:10]>>[CH2:11]([CH3:12])[N:13]1[c:14]2[c:15]([cH:25][c:26]([O:29][CH2:30][CH2:31][CH2:32][N:33]([CH2:34][c:35]3[cH:36][cH:37][n:38][cH:39][cH:40]3)[CH2:41][CH2:42][N:43]([CH3:44])[C:46](=[O:47])[c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[cH:27][cH:28]2)[N:16]([CH3:24])[C:17](=[O:23])[C:18]([CH3:21])([CH3:22])[C:19]1=[O:20]Participants
6
Sources & evidence
- ORD record
- ord-c48c95721ee349259e7a89bbfe34fd76
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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