Sodium ion → HCID 10629120, compound
Reaction equation
[Br:40][CH2:41][CH2:42][CH2:43][N:44]([S:45](=[O:46])(=[O:47])[c:48]1[c:49]([CH3:56])[cH:50][c:51]([CH3:55])[cH:52][c:53]1[CH3:54])[CH2:57][CH2:58][CH3:59].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[H-:2].[Na+:1].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[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][N:44]([S:45](=[O:46])(=[O:47])[c:48]2[c:49]([CH3:56])[cH:50][c:51]([CH3:55])[cH:52][c:53]2[CH3:54])[CH2:57][CH2:58][CH3:59])[c:5]([CH3:10])[cH:6][c:7]([CH3:9])[cH:8]1Participants
8
Sources & evidence
- ORD record
- ord-9396ba2cc56c48adb5798d035f3f8728
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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