HCID 178460046, compound → HCID 178452824, compound
Reaction equation
[CH3:43][O:44][C:45]([c:46]1[n:47][c:48]2[c:49]([n:50][cH:51][n:52]2[CH:53]2[CH2:54][CH:55]([N:56]([C:57](=[O:58])[O:68][C:69]([CH3:70])([CH3:71])[CH3:72])[C:59](=[O:60])[CH2:61][CH3:62])[CH:63]([OH:64])[CH:65]2[OH:66])[c:67]([NH:73][CH2:74][CH:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[n:88]1)=[O:89].[NH2:1][CH2:2][CH2:3][NH:4][C:5](=[O:6])[c:7]1[n:8][c:9]([NH:28][CH2:29][CH:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:10]2[n:11][cH:12][n:13]([CH:16]3[CH:17]([OH:27])[CH:18]([OH:26])[CH:19]([NH:21][C:22]([CH2:23][CH3:24])=[O:25])[CH2:20]3)[c:14]2[n:15]1>>[NH2:1][CH2:2][CH2:3][NH:4][C:5](=[O:6])[c:7]1[n:8][c:9]([NH:28][CH2:29][CH:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:10]2[n:11][cH:12][n:13]([CH:16]3[CH:17]([OH:27])[CH:18]([OH:26])[CH:19]([NH:21][C:22](=[O:25])[O:68][C:69]([CH3:70])([CH3:71])[CH3:72])[CH2:20]3)[c:14]2[n:15]1Participants
3
Sources & evidence
- ORD record
- ord-2e746136c69144ca884f0433efc99c7c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…