Chloride → HCID 22118401, compound
Reaction equation
[C:27](=[O:28])([O-:29])[O-:30].[CH2:1]([CH3:2])[S:3][CH:4]1[CH2:5][CH2:6][S:7](=[O:25])(=[O:26])[c:8]2[cH:9][cH:10][c:11]([C:15](=[O:16])[c:17]3[cH:18][n:19][n:20]([CH2:23][CH3:24])[c:21]3[OH:22])[c:12]([CH3:14])[c:13]21.[CH2:33]([CH2:34][CH3:35])[S:36](=[O:37])(=[O:38])[Cl:39].[CH2:40]([Cl:41])[Cl:42].[CH2:45]([N+:46]([CH2:47][CH3:48])([CH2:49][CH3:50])[CH2:51][CH3:52])[c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[Cl-:44].[K+:31].[K+:32].[OH2:43]>>[CH2:1]([CH3:2])[S:3][CH:4]1[CH2:5][CH2:6][S:7](=[O:25])(=[O:26])[c:8]2[cH:9][cH:10][c:11]([C:15](=[O:16])[c:17]3[cH:18][n:19][n:20]([CH2:23][CH3:24])[c:21]3[O:22][S:36]([CH2:33][CH2:34][CH3:35])(=[O:37])=[O:38])[c:12]([CH3:14])[c:13]21Participants
9
Sources & evidence
- ORD record
- ord-9aa4ef917ca64c20bb30fecf98b72a28
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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