HCID 178492602, compound → HCID 178492601, compound
Reaction equation
[OH:57][c:58]1[cH:59][c:60]([C:69](=[O:70])[OH:71])[n:61][c:62]2[c:63]([OH:68])[cH:64][cH:65][cH:66][c:67]12.[cH:1]1[c:2]2[c:14]([cH:15][cH:16][cH:17]1)-[c:9]1[c:8]([cH:13][cH:12][cH:11][cH:10]1)[CH:3]2[CH2:4][O:5][C:6](=[O:7])[NH:18][CH:19]([CH2:20][CH2:21][C:22]([NH:23][C:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)=[O:43])[C:44](=[O:45])[NH:46][c:47]1[c:48]([O:55][CH3:56])[cH:49][cH:50][c:51]([O:53][CH3:54])[cH:52]1>>[NH:18]([CH:19]([CH2:20][CH2:21][C:22]([NH:23][C:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)=[O:43])[C:44](=[O:45])[NH:46][c:47]1[c:48]([O:55][CH3:56])[cH:49][cH:50][c:51]([O:53][CH3:54])[cH:52]1)[C:69]([c:60]1[cH:59][c:58]([OH:57])[c:67]2[c:62]([n:61]1)[c:63]([OH:68])[cH:64][cH:65][cH:66]2)=[O:71]Participants
3
Sources & evidence
- ORD record
- ord-9dcc5640151546df946762b5678ee634
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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