Water → HCID 68616452, compound
Reaction equation
[C:15]([CH3:16])([CH3:17])([CH3:18])[O:19][C:20](=[O:21])[N:22]1[CH2:23][CH:24]([CH2:48][N:49]([CH:50]2[CH2:51][CH2:52]2)[C:53]([CH2:54][c:55]2[cH:56][c:57]([NH2:61])[cH:58][cH:59][cH:60]2)=[O:62])[CH:25]([CH2:27][N:28]([C:29]([c:30]2[cH:31][c:32]([O:38][CH2:39][CH2:40][CH2:41][O:42][CH3:43])[c:33]([O:36][CH3:37])[cH:34][cH:35]2)=[O:44])[CH:45]([CH3:46])[CH3:47])[CH2:26]1.[CH2:73]1[O:74][CH2:75][CH2:76][CH2:77]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:64][N:65]([c:66]1[cH:67][cH:68][n:69][cH:70][cH:71]1)[CH3:72].[CH3:8][C:9](=[O:10])[O:11][C:12](=[O:13])[CH3:14].[OH2:63]>>[CH3:8][C:9](=[O:10])[NH:61][c:57]1[cH:56][c:55]([CH2:54][C:53]([N:49]([CH2:48][CH:24]2[CH2:23][N:22]([C:20]([O:19][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:21])[CH2:26][CH:25]2[CH2:27][N:28]([C:29]([c:30]2[cH:31][c:32]([O:38][CH2:39][CH2:40][CH2:41][O:42][CH3:43])[c:33]([O:36][CH3:37])[cH:34][cH:35]2)=[O:44])[CH:45]([CH3:46])[CH3:47])[CH:50]2[CH2:51][CH2:52]2)=[O:62])[cH:60][cH:59][cH:58]1Participants
7
Sources & evidence
- ORD record
- ord-24fc2896df61439cafb8e36d12afcdfb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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