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Chloride → N-[11-(3-fluoro-4-methoxy-phenyl)-11-oxo-undecyl]acetamide

HRID 215555
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반응식

HRID 215555 반응식
[Al+3:51].[C:24]([NH:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][C:36]([Cl:37])=[O:38])(=[O:39])[CH3:40].[C:7]([CH3:8])(=[O:9])[NH:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][C:21](=[O:22])[OH:23].[CH2:55]([Cl:56])[Cl:57].[Cl-:50].[Cl-:52].[Cl-:53].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[ClH:54].[F:41][c:42]1[c:43]([O:48][CH3:49])[cH:44][cH:45][cH:46][cH:47]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:58]>>[C:7]([CH3:8])(=[O:9])[NH:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][C:21](=[O:23])[c:46]1[cH:45][cH:44][c:43]([O:48][CH3:49])[c:42]([F:41])[cH:47]1
참가 물질출처 및 근거반응 노트

참가 물질

11

반응물 10

HCID 312Chloride3회HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 65578Oxalyl chlorideHCID 675762-FluoroanisoleHCID 104727Aluminum Cation
HCID 45408511-Acetamidoundecanoic acid
HCID 1843429211-Acetylamino-undecanoyl chloride

생성물 1

HCID 18434110N-[11-(3-fluoro-4-methoxy-phenyl)-11-oxo-undecyl]acetamide

출처 및 근거

ORD 기록
ord-efffbdbc678d4f1887390352bd320db6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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