Water → HCID 178444213, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]1[N:8]([C:12]([CH:13]2[NH:14][CH2:15][CH2:16][CH2:17]2)=[O:18])[CH2:9][CH2:10][CH2:11]1)=[O:19].[CH2:38]([CH3:39])[O:40][C:41](=[O:42])[CH:43]([CH2:44][S:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52])[NH:53][CH:54]([CH3:55])[C:56](=[O:57])[OH:58].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:37].[OH:20][n:21]1[c:22]2[c:23]([cH:24][cH:25][cH:26][cH:27]2)[n:28][n:29]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]1[N:8]([C:12]([CH:13]2[N:14]([C:56]([CH:54]([NH:53][CH:43]([C:41]([O:40][CH2:38][CH3:39])=[O:42])[CH2:44][S:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52])[CH3:55])=[O:57])[CH2:15][CH2:16][CH2:17]2)=[O:18])[CH2:9][CH2:10][CH2:11]1)=[O:19]Participants
7
Sources & evidence
- ORD record
- ord-0cde10e5cc864aa8995d34d73fd9d01d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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