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Dimethylformamide → [4,5-Bis-(4-chloro-phenyl)-2-(2-ethoxy-5-trifluoromethyl-phenyl)-4,5-dihydro-imidazol-1-yl]-[4-{(4-(2-hydroxyethyl)piperazine-1-yl)methyl}phenyl]methanone

HRID 1574858
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인쇄 미리보기

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HRID 1574858 반응식
[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[CH:52]([N:53]([CH:54]([CH3:55])[CH3:56])[CH2:57][CH3:58])([CH3:59])[CH3:60].[Cl:10][c:11]1[cH:12][cH:13][c:14]([CH:17]2[N:18]=[C:19]([c:39]3[c:40]([O:49][CH2:50][CH3:51])[cH:41][cH:42][c:43]([C:45]([F:46])([F:47])[F:48])[cH:44]3)[N:20]([C:29](=[O:30])[c:31]3[cH:32][cH:33][c:34]([CH2:37][Cl:38])[cH:35][cH:36]3)[CH:21]2[c:22]2[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[cH:15][cH:16]1.[OH:1][CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][NH:7][CH2:8][CH2:9]1>>[OH:1][CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][N:7]([CH2:37][c:34]2[cH:33][cH:32][c:31]([C:29]([N:20]3[C:19]([c:39]4[c:40]([O:49][CH2:50][CH3:51])[cH:41][cH:42][c:43]([C:45]([F:46])([F:47])[F:48])[cH:44]4)=[N:18][CH:17]([c:14]4[cH:13][cH:12][c:11]([Cl:10])[cH:16][cH:15]4)[CH:21]3[c:22]3[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]3)=[O:30])[cH:36][cH:35]2)[CH2:8][CH2:9]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 6228DimethylformamideHCID 76771-(2-Hydroxyethyl)piperazineHCID 81531DiisopropylethylamineHCID 86595531[4,5-Bis-(4-chloro-phenyl)-2-(2-ethoxy-5-trifluoromethyl-phenyl)-4,5-dihydro-imidazol-1-yl]-(4-chloromethyl-phenyl)-methanone

생성물 1

HCID 59792813[4,5-Bis-(4-chloro-phenyl)-2-(2-ethoxy-5-trifluoromethyl-phenyl)-4,5-dihydro-imidazol-1-yl]-[4-{(4-(2-hydroxyethyl)piperazine-1-yl)methyl}phenyl]methanone

출처 및 근거

ORD 기록
ord-d63ca8405b994a408c8e66a0698c72e5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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