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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Ethyl Acetate → 5-{2,5-Dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-4-yloxy]-benzoylamino}-[1,3,4]thiadiazole-2-carboxylic acid ethyl ester

HRID 2150774
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HRID 2150774 반응식
[C:50]([O:51][CH2:52][CH3:53])(=[O:54])[CH3:55].[CH2:39]([CH3:40])[O:41][C:42](=[O:43])[c:44]1[s:45][c:46]([NH2:49])[n:47][n:48]1.[CH3:1][O:2][C:3](=[O:4])[CH2:5][NH:38][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].[CH3:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH3:62]>>[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])[NH:49][c:46]1[s:45][c:44]([C:42]([O:41][CH2:39][CH3:40])=[O:43])[n:48][n:47]1
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참가 물질

5

반응물 4

HCID 8857Ethyl AcetateHCID 8900HeptaneHCID 2756556Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylateHCID 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 533111825-{2,5-Dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-4-yloxy]-benzoylamino}-[1,3,4]thiadiazole-2-carboxylic acid ethyl ester

출처 및 근거

ORD 기록
ord-2bbbb06510b74504a3f93d9d49303385
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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