Hydrochloric Acid → 1-[3-Chloro-6-[2-(3,3-difluoro-pyrrolidin-1-yl)-ethoxy]-4-methoxy-2-methyl-5-(3-phenyl-propoxy)-phenyl]-ethanone

HRID 288076

반응식

HRID 288076 반응식
[Br:1][CH2:2][CH2:3][O:4][c:5]1[c:6]([C:25]([CH3:26])=[O:27])[c:7]([CH3:24])[c:8]([Cl:23])[c:9]([O:21][CH3:22])[c:10]1[O:11][CH2:12][CH2:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[ClH:28].[F:29][C:30]1([F:35])[CH2:31][NH:32][CH2:33][CH2:34]1>>[CH2:2]([CH2:3][O:4][c:5]1[c:6]([C:25]([CH3:26])=[O:27])[c:7]([CH3:24])[c:8]([Cl:23])[c:9]([O:21][CH3:22])[c:10]1[O:11][CH2:12][CH2:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[N:32]1[CH2:31][C:30]([F:29])([F:35])[CH2:34][CH2:33]1

참가 물질

4

반응물 3

HCID 313Hydrochloric AcidHCID 27828273,3-DifluoropyrrolidineHCID 595834951-[2-(2-Bromo-ethoxy)-5-chloro-4-methoxy-6-methyl-3-(3-phenyl-propoxy)-phenyl]-ethanone

생성물 1

HCID 252543741-[3-Chloro-6-[2-(3,3-difluoro-pyrrolidin-1-yl)-ethoxy]-4-methoxy-2-methyl-5-(3-phenyl-propoxy)-phenyl]-ethanone

출처 및 근거

ORD 기록
ord-dbf359bf29664c4389136b3a17ee94e9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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