Benzenepropanoic acid → HCID 178520434, compound
Reaction equation
[CH:77]([N:78]([CH2:79][CH3:80])[CH:81]([CH3:82])[CH3:83])([CH3:84])[CH3:85].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[P-:12]([F:13])([F:14])([F:15])([F:16])([F:17])[F:18].[c:1]1([CH2:7][CH2:8][C:9](=[O:10])[OH:11])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[n:19]1([O:20][C:21]([N:22]([CH3:23])[CH3:24])=[N+:25]([CH3:26])[CH3:27])[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1.[nH:36]1[c:37]([NH:41][C:42](=[O:43])[c:44]2[cH:45][c:46]([NH:66][C:67](=[O:68])[CH:69]([CH3:70])[CH3:71])[cH:47][c:48]3[nH:49][c:50]([NH:53][C:54](=[O:55])[c:56]4[n:57][cH:58][c:59]5[cH:60][cH:61][cH:62][cH:63][c:64]5[cH:65]4)[n:51][c:52]23)[n:38][cH:39][cH:40]1>>[c:1]1([CH2:7][CH2:8][C:9](=[O:11])[NH:66][c:46]2[cH:45][c:44]([C:42]([NH:41][c:37]3[n:36][cH:40][cH:39][nH:38]3)=[O:43])[c:52]3[c:48]([cH:47]2)[n:49][c:50]([NH:53][C:54](=[O:55])[c:56]2[n:57][cH:58][c:59]4[cH:60][cH:61][cH:62][cH:63][c:64]4[cH:65]2)[nH:51]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
7
Sources & evidence
- ORD record
- ord-b31160f61aa64d5993a9023ea0177d90
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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