Sodium ion → HCID 10031590, compound
Reaction equation
[CH2:59]([Cl:60])[Cl:61].[Cl:43][c:44]1[cH:45][cH:46][cH:47][c:48]([C:49]([O:50][OH:52])=[O:51])[cH:53]1.[F:1][c:2]1[c:3]([NH:9][C:10]([N:11]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][S:24][c:25]2[nH:26][c:27](-[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[c:28](-[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[n:29]2)=[O:42])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[Na+:58].[S:54](=[O:55])([OH:56])[O-:57]>>[F:1][c:2]1[c:3]([NH:9][C:10]([N:11]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][S:24]([c:25]2[n:26][c:27](-[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[c:28](-[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[nH:29]2)=[O:51])=[O:42])[cH:4][cH:5][c:6]([F:8])[cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-5833726a5d6b418e874991a1e06ef2ad
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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