HCID 11315175, compound → HCID 86600879, compound
Reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([NH:14][C:15](=[O:16])[N:17]2[CH2:18][CH2:19][N:20]([c:23]3[cH:24][c:25]([OH:29])[cH:26][cH:27][cH:28]3)[CH2:21][CH2:22]2)[c:10]([O:12][CH3:13])[n:11]1.[cH:30]1[cH:31][cH:32][cH:33][c:34]2[n:35][c:36]3[cH:37][cH:38][cH:39][cH:40][c:41]3[c:42]([NH:44][c:45]3[cH:46][c:47]([NH:53][C:54]([CH:55]([CH3:56])[NH2:57])=[O:58])[cH:48][c:49]([CH2:51][OH:52])[cH:50]3)[c:43]12>>[CH2:1]([CH3:2])[c:3]1[c:4]([C:5](=[O:7])[NH:57][CH:55]([C:54]([NH:53][c:47]2[cH:46][c:45]([NH:44][c:42]3[c:41]4[c:36]([n:35][c:34]5[cH:33][cH:32][cH:31][cH:30][c:43]53)[cH:37][cH:38][cH:39][cH:40]4)[cH:50][c:49]([CH2:51][OH:52])[cH:48]2)=[O:58])[CH3:56])[cH:8][c:9]([NH:14][C:15](=[O:16])[N:17]2[CH2:18][CH2:19][N:20]([c:23]3[cH:24][c:25]([OH:29])[cH:26][cH:27][cH:28]3)[CH2:21][CH2:22]2)[c:10]([O:12][CH3:13])[n:11]1Participants
3
Sources & evidence
- ORD record
- ord-f4c40f783f2249a398315d1dcc9f4e12
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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