HCID 11315175, compound → HCID 86600882, compound
Reaction equation
[CH2:1]([CH2:2][CH3:3])[c:4]1[c:5]([C:6](=[O:7])[OH:8])[cH:9][c:10]([NH:15][C:16](=[O:17])[N:18]2[CH2:19][CH2:20][N:21]([c:24]3[cH:25][c:26]([CH3:31])[cH:27][c:28]([CH3:30])[cH:29]3)[CH2:22][CH2:23]2)[c:11]([O:13][CH3:14])[n:12]1.[cH:32]1[cH:33][cH:34][cH:35][c:36]2[n:37][c:38]3[cH:39][cH:40][cH:41][cH:42][c:43]3[c:44]([NH:46][c:47]3[cH:48][c:49]([NH:55][C:56]([CH:57]([CH3:58])[NH2:59])=[O:60])[cH:50][c:51]([CH2:53][OH:54])[cH:52]3)[c:45]12>>[CH2:1]([CH2:2][CH3:3])[c:4]1[c:5]([C:6](=[O:7])[NH:59][CH:57]([C:56]([NH:55][c:49]2[cH:48][c:47]([NH:46][c:44]3[c:43]4[c:38]([n:37][c:36]5[cH:35][cH:34][cH:33][cH:32][c:45]53)[cH:39][cH:40][cH:41][cH:42]4)[cH:52][c:51]([CH2:53][OH:54])[cH:50]2)=[O:60])[CH3:58])[cH:9][c:10]([NH:15][C:16](=[O:17])[N:18]2[CH2:19][CH2:20][N:21]([c:24]3[cH:25][c:26]([CH3:31])[cH:27][c:28]([CH3:30])[cH:29]3)[CH2:22][CH2:23]2)[c:11]([O:13][CH3:14])[n:12]1Participants
3
Sources & evidence
- ORD record
- ord-386a6cef93044d70bbad9e271cf2b64a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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