HCID 58317824, compound → HCID 58317840, compound
Reaction equation
[CH:41]1([c:47]2[c:48](-[c:68]3[c:69]([O:74][CH2:75][C:76](=[O:77])[O:78][CH3:79])[cH:70][cH:71][cH:72][cH:73]3)[n:49]([CH:63]3[CH2:64][CH2:65][CH2:66][CH2:67]3)[c:50]3[cH:51][c:52]([C:56](=[O:57])[O:58][C:59]([CH3:60])([CH3:61])[CH3:62])[cH:53][cH:54][c:55]23)[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]([CH3:7])[S:8]([NH:9][C:10]([c:11]1[cH:12][c:13]2[c:14]([c:15]([CH:16]3[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]3)[c:22](-[c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]3[O:29][CH2:30][C:31]([OH:32])=[O:33])[n:34]2[CH3:35])[cH:36][cH:37]1)=[O:38])(=[O:39])=[O:40]>>[CH:41]1([c:47]2[c:48](-[c:68]3[c:69]([O:74][CH2:75][C:76](=[O:77])[OH:78])[cH:70][cH:71][cH:72][cH:73]3)[n:49]([CH:63]3[CH2:64][CH2:65][CH2:66][CH2:67]3)[c:50]3[cH:51][c:52]([C:56](=[O:57])[O:58][C:59]([CH3:60])([CH3:61])[CH3:62])[cH:53][cH:54][c:55]23)[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1Participants
3
Sources & evidence
- ORD record
- ord-e843d23000e94887956db129b2cb021d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…