Sodium ion → HCID 69521201, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:50]2)[CH:20]=[C:21]([C:29](=[O:30])[NH:31][c:32]2[cH:33][cH:34][c:35]([S:38][CH2:39][c:40]4[c:41]([O:46][CH2:47][O:48][CH3:49])[cH:42][cH:43][cH:44][cH:45]4)[cH:36][cH:37]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:13][cH:14]1.[CH2:69]([Cl:70])[Cl:71].[Cl:51][c:52]1[cH:53][cH:54][cH:55][c:56]([C:57]([O:58][OH:60])=[O:59])[cH:61]1.[Na+:67].[Na+:68].[S:62]([O-:63])([O-:64])(=[O:65])=[S:66]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:50]2)[CH:20]=[C:21]([C:29](=[O:30])[NH:31][c:32]2[cH:33][cH:34][c:35]([S:38]([CH2:39][c:40]4[c:41]([O:46][CH2:47][O:48][CH3:49])[cH:42][cH:43][cH:44][cH:45]4)=[O:59])[cH:36][cH:37]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:13][cH:14]1Participants
6
Sources & evidence
- ORD record
- ord-a32f5f68a495407180dc445480d83894
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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