Sodium ion → 3-butyl-3-ethyl-5-phenyl-2H-1lambda6-benzothiepine 1,1-dioxide

HRID 294109Notes

Reaction equation

HRID 294109 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[C:5]1([CH2:22][CH3:23])[CH2:6][S:7][c:8]2[c:9]([cH:18][cH:19][cH:20][cH:21]2)[C:10]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[CH:11]1.[Cl:38][CH2:39][Cl:40].[Na+:37].[OH-:36].[OH2:35].[OH:24][O:25][C:26]([c:27]1[cH:28][c:29]([Cl:30])[cH:31][cH:32][cH:33]1)=[O:34]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[C:5]1([CH2:22][CH3:23])[CH2:6][S:7](=[O:35])(=[O:36])[c:8]2[c:9]([cH:18][cH:19][cH:20][cH:21]2)[C:10]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[CH:11]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 223252133-Butyl-3-ethyl-5-phenyl-2,3-dihydrobenzothiepine

Product 1

HCID 226788673-butyl-3-ethyl-5-phenyl-2H-1lambda6-benzothiepine 1,1-dioxide

Sources & evidence

ORD record
ord-67e16edc44644bce817f7296ff5f4f58
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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