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Sodium Ion → 7-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-[4-[(1-methylimidazol-2-yl)methylsulfinyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

HRID 171274
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HRID 171274 반응식
[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:46]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[n:41]([CH3:45])[cH:42][cH:43][n:44]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.[Cl:65][CH2:66][Cl:67].[Na+:63].[Na+:64].[OH:47][O:48][C:49]([c:50]1[cH:51][c:52]([Cl:53])[cH:54][cH:55][cH:56]1)=[O:57].[S:58]([O-:59])([O-:60])(=[O:61])=[S:62]>>[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:46]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[n:41]([CH3:45])[cH:42][cH:43][n:44]4)=[O:47])[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
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 923Sodium Ion2회HCID 1084Thiosulfate ionHCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 695213337-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-[4-[[(1-methylimidazol-2-yl)methyl]sulfanyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

생성물 1

HCID 3013563
7-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-[4-[(1-methylimidazol-2-yl)methylsulfinyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

출처 및 근거

ORD 기록
ord-61dd63347f8f4694b8585fac84478ef5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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