HCID 10387575, compound → HCID 10451378, compound
Reaction equation
[CH2:1]([O:2][CH2:3][c:4]1[c:5]2[c:6]([cH:7][n:8][c:9]([C:10](=[O:11])[NH:21][OH:22])[cH:12]2)[n:13]([CH2:14][c:15]2[cH:16][cH:17][c:18]([F:19])[cH:20][c:23]2[F:24])[cH:25]1)[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[Cl:32][c:33]1[c:34]([O:35][CH2:36][c:37]2[cH:38][n:39]([CH2:51][CH3:52])[c:40]3[c:41]2[cH:42][n:43][c:44]([C:46]([O:48][CH2:47][CH3:49])=[O:50])[cH:45]3)[cH:53][cH:54][c:55]([F:57])[cH:56]1.[Cl:58][c:59]1[c:60]([OH:61])[c:62]([CH2:67][c:68]2[c:69]3[cH:70][n:71][c:72]([C:73]([O:74][CH2:75][CH3:76])=[O:77])[cH:78][c:79]3[n:80]([CH2:81][CH3:82])[cH:83]2)[cH:63][c:64]([F:65])[cH:66]1>>[NH:21]([OH:22])[C:46]([c:44]1[n:43][cH:42][c:41]2[c:37]([CH2:36][O:35][c:34]3[c:33]([Cl:32])[cH:56][c:55]([F:57])[cH:54][cH:53]3)[cH:38][n:39]([CH2:51][CH3:52])[c:40]2[cH:45]1)=[O:48]Participants
4
Sources & evidence
- ORD record
- ord-9d4b7829e1094b0bb8c1d0c9cfe073d3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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