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Sodium Ion → 4-[13-(4-chlorophenyl)tridec-12-ynylamino]-N-(phenylsulfonyl)benzamide

HRID 1566306
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HRID 1566306 반응식
[CH2:47]([CH2:48][O:49][CH3:50])[O:51][CH3:52].[CH2:53]([Cl:54])[Cl:55].[CH3:56][C:57]([N:58]([CH3:59])[CH3:60])=[O:61].[Cl:13][c:14]1[cH:15][cH:16][c:17]([C:20]#[C:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][NH:33][c:34]2[cH:35][cH:36][c:37]([C:38](=[O:39])[OH:40])[cH:41][cH:42]2)[cH:18][cH:19]1.[H-:11].[Na+:12].[S:43]([Cl:44])([Cl:45])=[O:46].[c:1]1([S:7](=[O:8])(=[O:9])[NH2:10])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[NH:10][C:38]([c:37]2[cH:36][cH:35][c:34]([NH:33][CH2:32][CH2:31][CH2:30][CH2:29][CH2:28][CH2:27][CH2:26][CH2:25][CH2:24][CH2:23][CH2:22][C:21]#[C:20][c:17]3[cH:16][cH:15][c:14]([Cl:13])[cH:19][cH:18]3)[cH:42][cH:41]2)=[O:39])[cH:2][cH:3][cH:4][cH:5][cH:6]1
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9

반응물 8

HCID 923Sodium IonHCID 6344DichloromethaneHCID 7370BenzenesulfonamideHCID 80711,2-DimethoxyethaneHCID 24386Thionyl ChlorideHCID 31374DimethylacetamideHCID 166653Hydride
HCID 20330969
4-[13-(4-Chlorophenyl)-12-tridecynylamino]benzoic acid

생성물 1

HCID 203312704-[13-(4-chlorophenyl)tridec-12-ynylamino]-N-(phenylsulfonyl)benzamide

출처 및 근거

ORD 기록
ord-37ed53c60bf8446b8d89cd8cd690b5c2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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