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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Dichloromethane → N-(4-aminobutyl)-4-((4-((4-(2-bromoethoxy)benzyl)amino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl)amino)benzamide

HRID 1119247
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HRID 1119247 반응식
[Br:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][NH:10][c:11]2[n:12][c:13]([NH:23][c:24]3[cH:25][cH:26][c:27]([C:28](=[O:29])[NH:30][CH2:31][CH2:32][CH2:33][CH2:34][NH:35][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[cH:43][cH:44]3)[n:14][c:15]([O:17][CH2:18][C:19]([F:20])([F:21])[F:22])[n:16]2)[cH:45][cH:46]1.[Cl:54][CH2:55][Cl:56].[F:47][C:48]([F:49])([F:50])[C:51]([OH:52])=[O:53]>>[Br:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][NH:10][c:11]2[n:12][c:13]([NH:23][c:24]3[cH:25][cH:26][c:27]([C:28](=[O:29])[NH:30][CH2:31][CH2:32][CH2:33][CH2:34][NH2:35])[cH:43][cH:44]3)[n:14][c:15]([O:17][CH2:18][C:19]([F:20])([F:21])[F:22])[n:16]2)[cH:45][cH:46]1
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반응물 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 68658523Tert-butyl (4-(4-((4-((4-(2-bromoethoxy)benzyl)amino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl)amino)benzamido)butyl)carbamate

생성물 1

HCID 67284431N-(4-aminobutyl)-4-((4-((4-(2-bromoethoxy)benzyl)amino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl)amino)benzamide

출처 및 근거

ORD 기록
ord-d6dca41176f1492389767775e7ed234c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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