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4-Aminophenethyl alcohol → 1-(4-(4-(3-Oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-morpholino-1,3,5-triazin-2-yl)phenyl)-3-(4-(2-hydroxyethyl)phenyl)urea

HRID 2125325
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인쇄 미리보기

반응식

HRID 2125325 반응식
[Cl:28][C:29]([Cl:30])([O:31][C:32]([O:33][C:34]([Cl:35])([Cl:36])[Cl:37])=[O:38])[Cl:39].[NH2:40][c:41]1[cH:42][cH:43][c:44]([CH2:45][CH2:46][OH:47])[cH:48][cH:49]1.[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[n:8][c:9](-[c:21]3[cH:22][cH:23][c:24]([NH2:25])[cH:26][cH:27]3)[n:10][c:11]([N:13]3[CH:14]4[CH2:15][O:16][CH2:17][CH:18]3[CH2:19][CH2:20]4)[n:12]2)[CH2:5][CH2:6]1>>[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[n:8][c:9](-[c:21]3[cH:22][cH:23][c:24]([NH:25][C:32](=[O:38])[NH:40][c:41]4[cH:42][cH:43][c:44]([CH2:45][CH2:46][OH:47])[cH:48][cH:49]4)[cH:26][cH:27]3)[n:10][c:11]([N:13]3[CH:14]4[CH2:15][O:16][CH2:17][CH:18]3[CH2:19][CH2:20]4)[n:12]2)[CH2:5][CH2:6]1
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 669044-Aminophenethyl alcoholHCID 94429TriphosgeneHCID 670216444-[4-Morpholin-4-yl-6-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-1,3,5-triazin-2-yl]aniline

생성물 1

HCID 529501021-(4-(4-(3-Oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-morpholino-1,3,5-triazin-2-yl)phenyl)-3-(4-(2-hydroxyethyl)phenyl)urea

출처 및 근거

ORD 기록
ord-71655d5224cd4fc8bdc108ebfe6249fa
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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