HCID 178520845, compound → HCID 178520842, compound
Reaction equation
[OH:56][c:57]1[cH:58][c:59]([C:68]([OH:69])=[O:70])[n:60][c:61]2[c:62]([OH:67])[cH:63][cH:64][cH:65][c:66]12.[cH:1]1[c:2]2[c:12]([cH:13][cH:14][cH:15]1)-[c:7]1[c:6]([cH:11][cH:10][cH:9][cH:8]1)[CH:3]2[CH2:4][O:5][C:16](=[O:17])[NH:18][CH:19]([CH2:20][C:21]([NH:22][C:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)=[O:42])[C:43](=[O:44])[NH:45][CH2:46][CH2:47][c:48]1[cH:49][c:50]([OH:51])[c:52]([OH:53])[cH:54][cH:55]1>>[C:16](=[O:17])([NH:18][CH:19]([CH2:20][C:21]([NH:22][C:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)=[O:42])[C:43](=[O:44])[NH:45][CH2:46][CH2:47][c:48]1[cH:49][c:50]([OH:51])[c:52]([OH:53])[cH:54][cH:55]1)[c:59]1[cH:58][c:57]([OH:56])[c:66]2[c:61]([n:60]1)[c:62]([OH:67])[cH:63][cH:64][cH:65]2Participants
3
Sources & evidence
- ORD record
- ord-c543771582674ebd846b1690a50d9ccd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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