1-Hydroxy-2-naphthoic acid → HCID 178452879, compound
Reaction equation
[C:39]([CH3:40])([CH3:41])([CH3:42])[O:43][C:44](=[O:45])[NH:46][CH:47]1[CH2:48][N:49]([c:61]2[cH:62][c:63]([NH:89][c:90]3[cH:91][cH:92][c:93]([NH2:96])[cH:94][cH:95]3)[n:64][c:65]([N:67]3[CH2:68][CH:69]([NH:81][C:82](=[O:83])[O:84][C:85]([CH3:86])([CH3:87])[CH3:88])[CH2:70][CH:71]([NH:73][C:74](=[O:75])[O:76][C:77]([CH3:78])([CH3:79])[CH3:80])[CH2:72]3)[cH:66]2)[CH2:50][CH:51]([NH:53][C:54](=[O:55])[O:56][C:57]([CH3:58])([CH3:59])[CH3:60])[CH2:52]1.[CH3:97][CH2:98][O:99][C:100]([CH3:101])=[O:102].[OH:1][c:2]1[c:3]([C:12](=[O:13])[OH:14])[cH:4][cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[P-:15]([F:16])([F:17])([F:18])([F:19])([F:20])[F:21].[n:22]1([O:23][C:24]([N:25]([CH3:26])[CH3:27])=[N+:28]([CH3:29])[CH3:30])[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1>>[OH:1][c:2]1[c:3]([C:12](=[O:14])[NH:96][c:93]2[cH:92][cH:91][c:90]([NH:89][c:63]3[cH:62][c:61]([N:49]4[CH2:48][CH:47]([NH:46][C:44]([O:43][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:45])[CH2:52][CH:51]([NH:53][C:54](=[O:55])[O:56][C:57]([CH3:58])([CH3:59])[CH3:60])[CH2:50]4)[cH:66][c:65]([N:67]4[CH2:68][CH:69]([NH:81][C:82](=[O:83])[O:84][C:85]([CH3:86])([CH3:87])[CH3:88])[CH2:70][CH:71]([NH:73][C:74](=[O:75])[O:76][C:77]([CH3:78])([CH3:79])[CH3:80])[CH2:72]4)[n:64]3)[cH:95][cH:94]2)[cH:4][cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12Participants
6
Sources & evidence
- ORD record
- ord-e6935355dd244c41aada7fd5881cffde
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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