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Potassium Cation → (3-{3-[(2-chloro-3-trifluoromethyl-benzyl)-(2-thiophen-2-yl-propyl)-amino]-propoxy}-phenyl)-acetic Acid Methyl Ester

HRID 104610
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반응식

HRID 104610 반응식
[C:38](=[O:39])([O-:40])[O-:41].[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([O:11][CH2:12][CH2:13][CH2:14][Br:15])[cH:8][cH:9][cH:10]1)=[O:16].[CH3:44][C:45]#[N:46].[Cl:17][c:18]1[c:19]([CH2:20][NH:21][CH2:22][CH:23]([CH3:24])[c:25]2[s:26][cH:27][cH:28][cH:29]2)[cH:30][cH:31][cH:32][c:33]1[C:34]([F:35])([F:36])[F:37].[K+:42].[K+:43]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([O:11][CH2:12][CH2:13][CH2:14][N:21]([CH2:20][c:19]2[c:18]([Cl:17])[c:33]([C:34]([F:35])([F:36])[F:37])[cH:32][cH:31][cH:30]2)[CH2:22][CH:23]([CH3:24])[c:25]2[s:26][cH:27][cH:28][cH:29]2)[cH:8][cH:9][cH:10]1)=[O:16]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 813Potassium Cation2회HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 10565189Methyl [3-(3-bromopropoxy)phenyl]acetateHCID 69253724(2-Chloro-3-trifluoromethyl-benzyl)-(2-thiophen-2-yl-propyl)-amine

생성물 1

HCID 69253058
(3-{3-[(2-chloro-3-trifluoromethyl-benzyl)-(2-thiophen-2-yl-propyl)-amino]-propoxy}-phenyl)-acetic Acid Methyl Ester

출처 및 근거

ORD 기록
ord-8d28130068db47539a47c155f0f7fbb0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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