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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Water → Ethyl 2-methyl-2-(3-{2-[4-methyl-3,5-dioxo-2-(4,4,4-trifluoro-butyl)-2,3,4,5-tetrahydro-[1,2,4]triazin-6-ylamino]-ethyl}-phenoxy)-propionate

HRID 107719
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인쇄 미리보기

반응식

HRID 107719 반응식
[Br:19][c:20]1[c:21](=[O:35])[n:22]([CH3:34])[c:23](=[O:33])[n:24]([CH2:26][CH2:27][CH2:28][C:29]([F:30])([F:31])[F:32])[n:25]1.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[NH2:1][CH2:2][CH2:3][c:4]1[cH:5][c:6]([O:7][C:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])([CH3:14])[CH3:15])[cH:16][cH:17][cH:18]1.[OH2:43]>>[NH:1]([CH2:2][CH2:3][c:4]1[cH:5][c:6]([O:7][C:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])([CH3:14])[CH3:15])[cH:16][cH:17][cH:18]1)[c:20]1[c:21](=[O:35])[n:22]([CH3:34])[c:23](=[O:33])[n:24]([CH2:26][CH2:27][CH2:28][C:29]([F:30])([F:31])[F:32])[n:25]1
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참가 물질

5

반응물 4

HCID 962WaterHCID 8471TriethylamineHCID 187664062-[3-(2-Amino-ethyl)-phenoxy]-2-methyl-propionic acid ethyl esterHCID 592988336-Bromo-4-methyl-2-(4,4,4-trifluoro-butyl)-2H-[1,2,4]triazine-3,5-dione

생성물 1

HCID 11856484Ethyl 2-methyl-2-(3-{2-[4-methyl-3,5-dioxo-2-(4,4,4-trifluoro-butyl)-2,3,4,5-tetrahydro-[1,2,4]triazin-6-ylamino]-ethyl}-phenoxy)-propionate

출처 및 근거

ORD 기록
ord-c99aa8f0c7c249d5b9db125d88699d76
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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