HCID 20801194, compound → HCID 20801167, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][N:6]([CH:7]1[CH2:8][CH2:9][N:10]([CH:13]([CH3:14])[CH3:15])[CH2:11][CH2:12]1)[C:16](=[O:17])[c:18]1[n:19]([CH2:31][c:32]2[n:33][o:34][c:35](-[c:37]3[s:38][c:39]([Cl:42])[cH:40][cH:41]3)[cH:36]2)[c:20]2[cH:21][cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[c:25]2[cH:26]1)=[O:43].[CH2:44]([O:45][C:46](=[O:47])[CH2:48][N:49]([C:50]([c:51]1[n:52]([CH2:53][c:54]2[cH:55][c:56](-[c:57]3[s:58][c:59]([Cl:60])[cH:61][cH:62]3)[o:63][n:64]2)[c:65]2[c:66]([cH:67]1)[cH:68][cH:69][cH:70][c:71]2[CH3:72])=[O:73])[CH:74]1[CH2:75][CH2:76][N:77]([CH:78]([CH3:79])[CH3:80])[CH2:81][CH2:82]1)[CH3:83]>>[O:3]=[C:4]([CH2:5][N:6]([CH:7]1[CH2:8][CH2:9][N:10]([CH:13]([CH3:14])[CH3:15])[CH2:11][CH2:12]1)[C:16](=[O:17])[c:18]1[n:19]([CH2:31][c:32]2[n:33][o:34][c:35](-[c:37]3[s:38][c:39]([Cl:42])[cH:40][cH:41]3)[cH:36]2)[c:20]2[cH:21][cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[c:25]2[cH:26]1)[OH:43]Participants
3
Sources & evidence
- ORD record
- ord-5a85b1f31ac641d590046c48e6a9d026
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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