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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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3-[3-(5-Dimethylaminomethyl-[1,2,3] triazol-1-yl)-phenyl]-3-oxo-propionic acid tert.-butyl ester → (5-Dimethylamino-2-{3-[3-(5-dimethylaminomethyl-[1,2,3]triazol-1-yl)-phenyl]-3-oxo-propionylamino}-4-fluoro-phenyl)-carbamic acid tert.-butyl ester

HRID 282229
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반응식

HRID 282229 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:18])[cH:10][c:11]([F:17])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1)=[O:19].[C:20]([CH3:22])([CH3:23])([O:24][C:25](=[O:21])[CH2:26][C:27](=[O:28])[c:29]1[cH:30][c:31](-[n:35]2[n:36][n:37][cH:38][c:39]2[CH2:40][N:41]([CH3:42])[CH3:43])[cH:32][cH:33][cH:34]1)[CH3:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:18][C:25](=[O:24])[CH2:26][C:27](=[O:28])[c:29]2[cH:30][c:31](-[n:35]3[n:36][n:37][cH:38][c:39]3[CH2:40][N:41]([CH3:42])[CH3:43])[cH:32][cH:33][cH:34]2)[cH:10][c:11]([F:17])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1)=[O:19]
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반응물 2

HCID 696876673-[3-(5-Dimethylaminomethyl-[1,2,3] triazol-1-yl)-phenyl]-3-oxo-propionic acid tert.-butyl esterHCID 69688174(2-Amino-5-dimethylamino-4-fluoro-phenyl)-carbamic acid tert.-butyl ester

생성물 1

HCID 86586833(5-Dimethylamino-2-{3-[3-(5-dimethylaminomethyl-[1,2,3]triazol-1-yl)-phenyl]-3-oxo-propionylamino}-4-fluoro-phenyl)-carbamic acid tert.-butyl ester

출처 및 근거

ORD 기록
ord-9f826ddc67bc4e2bb08d49f449450b02
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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