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1,2-Dichloroethane → 4-chloro-N-[(4-chloro-3-{[3-cyano-5-(2-propen-1-yl)phenyl]oxy}-2-fluorophenyl)methyl]-1-({[2-(trimethylsilyl)ethyl]oxy}methyl)-1H-imidazole-5-carboxamide

HRID 293792
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HRID 293792 반응식
[CH2:49]([Cl:50])[CH2:51][Cl:52].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:23][c:24]1[n:25][cH:26][n:27]([CH2:32][O:33][CH2:34][CH2:35][Si:36]([CH3:37])([CH3:38])[CH3:39])[c:28]1[C:29](=[O:30])[OH:31].[NH2:1][CH2:2][c:3]1[c:4]([F:22])[c:5]([O:10][c:11]2[cH:12][c:13]([C:14]#[N:15])[cH:16][c:17]([CH2:19][CH:20]=[CH2:21])[cH:18]2)[c:6]([Cl:9])[cH:7][cH:8]1>>[NH:1]([CH2:2][c:3]1[c:4]([F:22])[c:5]([O:10][c:11]2[cH:12][c:13]([C:14]#[N:15])[cH:16][c:17]([CH2:19][CH:20]=[CH2:21])[cH:18]2)[c:6]([Cl:9])[cH:7][cH:8]1)[C:29]([c:28]1[c:24]([Cl:23])[n:25][cH:26][n:27]1[CH2:32][O:33][CH2:34][CH2:35][Si:36]([CH3:37])([CH3:38])[CH3:39])=[O:30]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 111,2-DichloroethaneHCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 684835313-{[3-(Aminomethyl)-6-chloro-2-fluorophenyl]oxy}-5-(2-propen-1-yl)benzonitrileHCID 684855334-chloro-1-({[2-(trimethylsilyl)ethyl]oxy}methyl)-1H-imidazole-5-carboxylic acid

생성물 1

HCID 68483418
4-chloro-N-[(4-chloro-3-{[3-cyano-5-(2-propen-1-yl)phenyl]oxy}-2-fluorophenyl)methyl]-1-({[2-(trimethylsilyl)ethyl]oxy}methyl)-1H-imidazole-5-carboxamide

출처 및 근거

ORD 기록
ord-883b30d3ca9840fd9651ad642cf22946
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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