Sodium ion → HCID 10795483, compound
Reaction equation
[Br:40][CH2:41][CH2:42][CH2:43][CH2:44][N:45]([S:46](=[O:47])(=[O:48])[c:49]1[c:50]([CH3:57])[cH:51][c:52]([CH3:56])[cH:53][c:54]1[CH3:55])[CH2:58][CH2:59][CH3:60].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[CH3:68][CH2:69][O:70][C:71]([CH3:72])=[O:73].[H-:2].[Na+:1].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[c:3]1([CH3:39])[c:4]([S:11](=[O:12])(=[O:13])[NH:14][CH2:15][CH2:16][CH2:17][CH2:18][NH:19][C:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:5]([CH3:10])[cH:6][c:7]([CH3:9])[cH:8]1>>[c:3]1([CH3:39])[c:4]([S:11](=[O:12])(=[O:13])[N:14]([CH2:15][CH2:16][CH2:17][CH2:18][NH:19][C:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH2:41][CH2:42][CH2:43][CH2:44][N:45]([S:46](=[O:47])(=[O:48])[c:49]2[c:50]([CH3:57])[cH:51][c:52]([CH3:56])[cH:53][c:54]2[CH3:55])[CH2:58][CH2:59][CH3:60])[c:5]([CH3:10])[cH:6][c:7]([CH3:9])[cH:8]1Participants
8
Sources & evidence
- ORD record
- ord-914e6a2d246345b7a17b9e55253ce042
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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