Calcium Cation → Benzoic acid, 4-amino-2-chloro-5-iodo-, methyl ester
Reaction equation
[CH2:26]([N+:27]([CH3:28])([CH3:29])[CH3:30])[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH3:40][OH:41].[Ca+2:13].[Cl:37][CH2:38][Cl:39].[I:18]([Cl:19])(=[O:20])=[O:21].[I:22]([Cl:23])(=[O:24])=[O:25].[NH2:1][c:2]1[cH:3][c:4]([Cl:12])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[O-:14][C:15](=[O:16])[O-:17]>>[NH2:1][c:2]1[cH:3][c:4]([Cl:12])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][c:11]1[I:18]Participants
8
Sources & evidence
- ORD record
- ord-e1971381d5124947afb77ef137c0e538
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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