Sodium ion → 7-[4-(2-butoxyethoxy)phenyl]-1-propyl-N-[4-(2-pyridylsulfinylmethyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

HRID 669643Notes

Reaction equation

HRID 669643 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:45]2)[CH:20]=[C:21]([C:28](=[O:29])[NH:30][c:31]2[cH:32][cH:33][c:34]([CH2:37][S:38][c:39]4[n:40][cH:41][cH:42][cH:43][cH:44]4)[cH:35][cH:36]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH2:26][CH3:27])[cH:13][cH:14]1.[CH2:64]([Cl:65])[Cl:66].[Cl:46][c:47]1[cH:48][cH:49][cH:50][c:51]([C:52]([O:53][OH:55])=[O:54])[cH:56]1.[Na+:62].[Na+:63].[S:57]([O-:58])([O-:59])(=[O:60])=[S:61]>>[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:45]2)[CH:20]=[C:21]([C:28](=[O:29])[NH:30][c:31]2[cH:32][cH:33][c:34]([CH2:37][S:38]([c:39]4[n:40][cH:41][cH:42][cH:43][cH:44]4)=[O:54])[cH:35][cH:36]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH2:26][CH3:27])[cH:13][cH:14]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 1084Thiosulfate ionHCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 69521475HCID 69521475, compound

Product 1

HCID 30135457-[4-(2-butoxyethoxy)phenyl]-1-propyl-N-[4-(2-pyridylsulfinylmethyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

Sources & evidence

ORD record
ord-1af6acae35f64311943903afaada0038
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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