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Tetrahydrofuran → Methyl 4-(4-(4-(allyloxy)benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoate

HRID 201542
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HRID 201542 반응식
[CH2:25]([CH:26]=[CH2:27])[O:28][c:29]1[cH:30][cH:31][c:32]([CH2:35][NH2:36])[cH:33][cH:34]1.[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:1][c:2]1[n:3][c:4]([NH:14][c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][CH3:22])[cH:23][cH:24]2)[n:5][c:6]([O:8][CH2:9][C:10]([F:11])([F:12])[F:13])[n:7]1>>[c:2]1([NH:36][CH2:35][c:32]2[cH:31][cH:30][c:29]([O:28][CH2:25][CH:26]=[CH2:27])[cH:34][cH:33]2)[n:3][c:4]([NH:14][c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][CH3:22])[cH:23][cH:24]2)[n:5][c:6]([O:8][CH2:9][C:10]([F:11])([F:12])[F:13])[n:7]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 218436204-(2-Propen-1-yloxy)benzenemethanamineHCID 86652469Methyl 4-(4-chloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoate

생성물 1

HCID 67074750Methyl 4-(4-(4-(allyloxy)benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoate

출처 및 근거

ORD 기록
ord-c8d191eddf204585aecb602c39ad2fb7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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