Sodium ion → 6-chloro-5-[(4-ethylphenyl)methyl]-6'-(2,2,2-trifluoroethoxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
Reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][CH2:12][CH:13]2[CH:14]([OH:39])[CH:15]([OH:38])[CH:16]([OH:37])[C:17]3([O:18][CH2:19][c:20]4[cH:21][c:22]([Cl:35])[c:23]([CH2:26][c:27]5[cH:28][cH:29][c:30]([CH2:33][CH3:34])[cH:31][cH:32]5)[cH:24][c:25]43)[O:36]2)(=[O:8])=[O:9])[cH:10][cH:11]1.[F:40][C:41]([CH2:42][O-:43])([F:44])[F:45].[Na+:46]>>[CH2:12]([CH:13]1[CH:14]([OH:39])[CH:15]([OH:38])[CH:16]([OH:37])[C:17]2([O:18][CH2:19][c:20]3[cH:21][c:22]([Cl:35])[c:23]([CH2:26][c:27]4[cH:28][cH:29][c:30]([CH2:33][CH3:34])[cH:31][cH:32]4)[cH:24][c:25]32)[O:36]1)[O:43][CH2:42][C:41]([F:40])([F:44])[F:45]Participants
4
Sources & evidence
- ORD record
- ord-9d823ce7336e4484adaa123da433ff9c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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