HCID 46836570, compound → HCID 46836718, compound
Reaction equation
[s:1]1[c:2]2[cH:3][cH:4][cH:5][cH:6][c:7]2[n:8][c:9]1[NH:10][C:11]([c:12]1[cH:13][cH:14][cH:15][c:16]2[c:17]1[CH2:18][N:19]([c:20]1[s:21][c:22]([CH2:23][CH2:24][CH2:25][O:26][c:27]3[cH:28][cH:29][c:30]([NH:31][C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[cH:39][cH:40]3)[c:41]([C:42]([OH:43])=[O:44])[n:45]1)[CH2:46][CH2:47]2)=[O:48].[s:49]1[c:50]([NH:58][C:59](=[O:60])[c:61]2[cH:62][cH:63][cH:64][c:65]3[c:70]2[CH2:69][N:68]([c:71]2[s:72][c:73]([CH2:79][CH2:80][CH2:81][O:82][c:83]4[cH:84][c:85]([NH:89][C:90]([O:91][C:92]([CH3:93])([CH3:94])[CH3:95])=[O:96])[cH:86][cH:87][cH:88]4)[c:74]([C:76](=[O:77])[OH:78])[n:75]2)[CH2:67][CH2:66]3)[n:51][c:52]2[c:53]1[cH:54][cH:55][cH:56][cH:57]2>>[s:49]1[c:50]([NH:58][C:59](=[O:60])[c:61]2[cH:62][cH:63][cH:64][c:65]3[c:70]2[CH2:69][N:68]([c:71]2[s:72][c:73]([CH2:79][CH2:80][CH2:81][O:82][c:83]4[cH:84][c:85]([NH2:89])[cH:86][cH:87][cH:88]4)[c:74]([C:76](=[O:77])[OH:78])[n:75]2)[CH2:67][CH2:66]3)[n:51][c:52]2[c:53]1[cH:54][cH:55][cH:56][cH:57]2Participants
3
Sources & evidence
- ORD record
- ord-16efbb086d964481b7ad7bb0c05578f7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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