Chloride → HCID 22054134, compound
Reaction equation
[CH2:59]([Cl:60])[Cl:61].[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[CH3:31][O:32][C:33]1=[C:38]([O:39][CH3:40])[C:37](=[O:41])[C:36]([CH2:42][c:43]2[c:44]([O:52][C:53]([CH3:54])=[O:55])[c:45]([C:46](=[O:47])[OH:48])[cH:49][cH:50][cH:51]2)=[C:35]([CH3:56])[C:34]1=[O:57].[Cl-:22].[Cl:23][CH:24]1[N:25]([CH3:26])[CH2:27][CH2:28][NH+:29]1[CH3:30].[F:1][C:2]([S:3](=[O:4])(=[O:5])[c:6]1[cH:7][cH:8][c:9]([NH2:10])[cH:11][cH:12]1)([F:13])[F:14].[OH2:58]>>[F:1][C:2]([S:3](=[O:4])(=[O:5])[c:6]1[cH:7][cH:8][c:9]([NH:10][C:46]([c:45]2[c:44]([O:52][C:53]([CH3:54])=[O:55])[c:43]([CH2:42][C:36]3=[C:35]([CH3:56])[C:34](=[O:57])[C:33]([O:32][CH3:31])=[C:38]([O:39][CH3:40])[C:37]3=[O:41])[cH:51][cH:50][cH:49]2)=[O:47])[cH:11][cH:12]1)([F:13])[F:14]Participants
8
Sources & evidence
- ORD record
- ord-1072e18eb5314a2087011c51cd7be564
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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