Sodium ion → 7-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-[4-[[(2-methoxy-3-pyridinyl)methyl]sulfinyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

HRID 1206043Notes

Reaction equation

HRID 1206043 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:48]2)[CH:20]=[C:21]([C:29](=[O:30])[NH:31][c:32]2[cH:33][cH:34][c:35]([S:38][CH2:39][c:40]4[c:41]([O:46][CH3:47])[n:42][cH:43][cH:44][cH:45]4)[cH:36][cH:37]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:13][cH:14]1.[CH2:67]([Cl:68])[Cl:69].[Cl:49][c:50]1[cH:51][cH:52][cH:53][c:54]([C:55]([O:56][OH:58])=[O:57])[cH:59]1.[Na+:65].[Na+:66].[S:60]([O-:61])([O-:62])(=[O:63])=[S:64]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:48]2)[CH:20]=[C:21]([C:29](=[O:30])[NH:31][c:32]2[cH:33][cH:34][c:35]([S:38]([CH2:39][c:40]4[c:41]([O:46][CH3:47])[n:42][cH:43][cH:44][cH:45]4)=[O:57])[cH:36][cH:37]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:13][cH:14]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 1084Thiosulfate ionHCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 69522176HCID 69522176, compound

Product 1

HCID 695222817-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-[4-[[(2-methoxy-3-pyridinyl)methyl]sulfinyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

Sources & evidence

ORD record
ord-86a85cc60edd4d7484e3e56a53c5b051
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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