HCID 58859737, compound → HCID 58859915, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]2[c:15]([cH:16]1)[N:14]([C:17]([c:18]1[cH:19][cH:20][c:21]([N:24]([CH3:25])[CH3:26])[cH:22][cH:23]1)=[O:27])[CH:13]([CH3:28])[CH2:12][CH:11]2[N:29]([c:30]1[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]1)[C:37]([CH3:38])=[O:39])=[O:40].[Cl:41][c:42]1[cH:43][cH:44][c:45]([N:46]([C:47](=[O:48])[CH2:49][CH3:50])[CH:51]2[c:52]3[c:53]([cH:54][cH:55][c:56]([O:57][CH2:58][C:59]([OH:60])=[O:61])[cH:62]3)[N:63]([C:64](=[O:65])[c:66]3[cH:67][cH:68][c:69]([F:70])[cH:71][cH:72]3)[CH:73]([CH3:74])[CH2:75]2)[cH:76][cH:77]1>>[O:3]=[C:4]([CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]2[c:15]([cH:16]1)[N:14]([C:17]([c:18]1[cH:19][cH:20][c:21]([N:24]([CH3:25])[CH3:26])[cH:22][cH:23]1)=[O:27])[CH:13]([CH3:28])[CH2:12][CH:11]2[N:29]([c:30]1[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]1)[C:37]([CH3:38])=[O:39])[OH:40]Participants
3
Sources & evidence
- ORD record
- ord-94874f340dc64685b9640b724a0d44a4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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