Sodium ion → HCID 66671463, compound
Reaction equation
[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[Cl:52][C:53](=[O:54])[O:55][CH2:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[H-:50].[Na+:51].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1.[OH2:63].[c:1]1(-[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:2]([NH:7][C:8]([O:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][N:18]([CH3:19])[C:20]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][NH:26][c:27]3[cH:28][cH:29][c:30]([N:33]([CH3:34])[C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[cH:31][cH:32]3)=[O:42])[CH2:14][CH2:15]2)=[O:43])[cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:2]([NH:7][C:8]([O:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][N:18]([CH3:19])[C:20]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][N:26]([c:27]3[cH:28][cH:29][c:30]([N:33]([CH3:34])[C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[cH:31][cH:32]3)[C:53](=[O:54])[O:55][CH2:56][c:57]3[cH:58][cH:59][cH:60][cH:61][cH:62]3)=[O:42])[CH2:14][CH2:15]2)=[O:43])[cH:3][cH:4][cH:5][cH:6]1Participants
8
Sources & evidence
- ORD record
- ord-795f7640615c4eafb23f38e09af96733
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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