Sodium ion → HCID 178450544, compound

HRID 1133153Notes

Reaction equation

HRID 1133153 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:44]2)[CH:20]=[C:21]([C:27](=[O:28])[NH:29][c:30]2[cH:31][cH:32][c:33]([CH:36]([c:37]4[n:38][cH:39][cH:40][cH:41][cH:42]4)[OH:43])[cH:34][cH:35]2)[CH2:22][CH2:23][N:24]3[CH:25]=[O:26])[cH:13][cH:14]1.[Cl:63][CH2:64][Cl:65].[Na+:61].[Na+:62].[OH:45][O:46][C:47]([c:48]1[cH:49][c:50]([Cl:51])[cH:52][cH:53][cH:54]1)=[O:55].[S:56]([O-:57])([O-:58])(=[O:59])=[S:60]>>[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:44]2)[CH:20]=[C:21]([C:27](=[O:28])[NH:29][c:30]2[cH:31][cH:32][c:33]([CH:36]([c:37]4[n+:38]([O-:45])[cH:39][cH:40][cH:41][cH:42]4)[OH:43])[cH:34][cH:35]2)[CH2:22][CH2:23][N:24]3[CH:25]=[O:26])[cH:13][cH:14]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 1084Thiosulfate ionHCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 878713627-[4-(2-butoxyethoxy)phenyl]-1-formyl-N-[4-[hydroxy(pyridin-2-yl)methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

Product 1

HCID 178450544HCID 178450544, compound

Sources & evidence

ORD record
ord-785c151d47eb4c86935d1d6d9913a2cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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