HCID 66633761, compound → HCID 178473442, compound
Reaction equation
[C:51]([O:52][C:53](=[O:54])[NH:55][CH:56]1[CH2:57][CH2:58][N:59]([c:60]2[n:61][c:62]3[c:63]([n:64][cH:65][n:66]3[CH:67]3[CH2:68][CH:69]([NH:70][C:71](=[O:72])[CH:73]([O:74][CH2:75][c:76]4[cH:77][cH:78][cH:79][cH:80][cH:81]4)[CH3:82])[CH:83]([OH:84])[CH:85]3[OH:86])[c:87]([NH:88][CH2:89][CH:90]([c:91]3[cH:92][cH:93][cH:94][cH:95][cH:96]3)[c:97]3[cH:98][cH:99][cH:100][cH:101][cH:102]3)[n:103]2)[CH2:104]1)([CH3:105])([CH3:106])[CH3:107].[NH2:1][CH:2]1[CH2:3][N:4]([c:7]2[n:8][c:9]([NH:36][CH2:37][CH:38]([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[c:10]3[n:11][cH:12][n:13]([CH:16]4[CH:17]([OH:35])[CH:18]([OH:34])[CH:19]([NH:21][C:22]([CH:23]([CH3:24])[O:25][CH2:26][c:27]5[cH:28][cH:29][cH:30][cH:31][cH:32]5)=[O:33])[CH2:20]4)[c:14]3[n:15]2)[CH2:5][CH2:6]1>>[NH2:1][CH:2]1[CH2:3][N:4]([c:7]2[n:8][c:9]([NH:36][CH2:37][CH:38]([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[c:10]3[n:11][cH:12][n:13]([CH:16]4[CH:17]([OH:35])[CH:18]([OH:34])[CH:19]([NH:21][C:22]([CH:23]([CH3:24])[OH:25])=[O:33])[CH2:20]4)[c:14]3[n:15]2)[CH2:5][CH2:6]1Participants
3
Sources & evidence
- ORD record
- ord-0135558d18ac40ac9e7eaa151c89b1e4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…