HCID 178421374, compound → HCID 76774680, compound
Reaction equation
[CH3:1][C:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH:7]2[CH2:8][CH:9]3[C:10]([CH3:37])([CH2:11][CH:12]([OH:27])[C:13]4([F:26])[C:14]5([CH3:25])[CH:15]=[CH:16][C:17](=[O:24])[CH:18]=[C:19]5[CH:20]([F:23])[CH2:21][CH:22]34)[C:28]2([C:30]([CH2:31][O:32][C:33](=[O:34])[CH3:35])=[O:36])[CH2:29]1)([CH3:38])[CH3:39].[CH:40]1([CH2:41][N:42]2[CH2:43][C:44]3([C:45](=[O:46])[CH2:47][OH:48])[CH:49]([CH2:50][CH:51]4[CH:52]5[C:53]([F:54])([C:55]6([CH3:56])[C:57](=[CH:61][C:62](=[O:63])[CH:64]=[CH:65]6)[CH:58]([F:59])[CH2:60]5)[CH:66]([OH:67])[CH2:68][C:69]34[CH3:70])[CH2:71]2)[CH2:72][CH2:73]1>>[CH3:1][C:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH:7]2[CH2:8][CH:9]3[C:10]([CH3:37])([CH2:11][CH:12]([OH:27])[C:13]4([F:26])[C:14]5([CH3:25])[CH:15]=[CH:16][C:17](=[O:24])[CH:18]=[C:19]5[CH:20]([F:23])[CH2:21][CH:22]34)[C:28]2([C:30]([CH2:31][OH:32])=[O:36])[CH2:29]1)([CH3:38])[CH3:39]Participants
3
Sources & evidence
- ORD record
- ord-d9b1d478dadb44d0a6350505afc76780
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…