Calcium Cation → 2-Acetamido-1,3-diacetoxy-2-(4-octylsulfonylbenzyl)propane
Reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][C:5]([CH2:6][O:7][C:8]([CH3:9])=[O:10])([CH2:11][O:12][C:13]([CH3:14])=[O:15])[CH2:16][c:17]1[cH:18][cH:19][c:20]([S:23](=[O:24])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32])[cH:21][cH:22]1.[CH:47]([Cl:48])([Cl:49])[Cl:50].[Ca+2:45].[Cl:33][c:34]1[cH:35][cH:36][cH:37][c:38]([C:39]([O:40][OH:42])=[O:41])[cH:43]1.[OH-:44].[OH-:46]>>[C:1]([CH3:2])(=[O:3])[NH:4][C:5]([CH2:6][O:7][C:8]([CH3:9])=[O:10])([CH2:11][O:12][C:13]([CH3:14])=[O:15])[CH2:16][c:17]1[cH:18][cH:19][c:20]([S:23](=[O:24])([CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32])=[O:41])[cH:21][cH:22]1Participants
6
Sources & evidence
- ORD record
- ord-dd292300de474042b571bc7cd5e37bb9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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