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Ethyl Acetate → 4-{2,5-Dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-4-yloxy]-benzoylamino}-butyric acid methyl ester

HRID 296128
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인쇄 미리보기

반응식

HRID 296128 반응식
[C:47]([O:48][CH2:49][CH3:50])(=[O:51])[CH3:52].[CH3:1][O:2][C:3]([CH2:4][NH:5][C:6]([c:7]1[c:8]([Cl:36])[cH:9][c:10]([O:14][c:15]2[c:16]([C:21](=[O:22])[N:23]3[CH2:24][CH2:25][N:26]([CH:33]4[CH2:34][CH2:35]4)[c:27]4[cH:28][cH:29][cH:30][cH:31][c:32]43)[cH:17][n:18][cH:19][cH:20]2)[c:11]([Cl:13])[cH:12]1)=[O:37])=[O:38].[CH3:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59].[NH2:39][CH2:40][CH2:41][CH2:42][C:43](=[O:44])[O:45][CH3:46]>>[CH2:4]([NH:5][C:6]([c:7]1[c:8]([Cl:36])[cH:9][c:10]([O:14][c:15]2[c:16]([C:21](=[O:22])[N:23]3[CH2:24][CH2:25][N:26]([CH:33]4[CH2:34][CH2:35]4)[c:27]4[cH:28][cH:29][cH:30][cH:31][c:32]43)[cH:17][n:18][cH:19][cH:20]2)[c:11]([Cl:13])[cH:12]1)=[O:37])[CH2:41][CH2:42][C:43](=[O:44])[O:45][CH3:46]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 8857Ethyl AcetateHCID 8900HeptaneHCID 18614Methyl 4-aminobutanoateHCID 53312194{2,5-Dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-4-yloxy]-benzoylamino}-acetic acid methyl ester

생성물 1

HCID 673207424-{2,5-Dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-4-yloxy]-benzoylamino}-butyric acid methyl ester

출처 및 근거

ORD 기록
ord-5a2ab878052341d1890f3549d686c5a0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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