Dichloromethane → 1-{4-[6-Fluoro-2-phenoxymethyl-3-(4-trifluoromethoxy-benzyl)-3H-benzoimidazol-5-yl]-piperazin-1-yl}-ethanone

HRID 283590

반응식

HRID 283590 반응식
[C:37]([CH3:38])(=[O:39])[Cl:40].[Cl:41][CH2:42][Cl:43].[F:1][c:2]1[cH:3][c:4]2[c:5]([n:6]([CH2:17][c:18]3[cH:19][cH:20][c:21]([O:24][C:25]([F:26])([F:27])[F:28])[cH:22][cH:23]3)[c:7]([CH2:9][O:10][c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[n:8]2)[cH:29][c:30]1[N:31]1[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1>>[F:1][c:2]1[cH:3][c:4]2[c:5]([n:6]([CH2:17][c:18]3[cH:19][cH:20][c:21]([O:24][C:25]([F:26])([F:27])[F:28])[cH:22][cH:23]3)[c:7]([CH2:9][O:10][c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[n:8]2)[cH:29][c:30]1[N:31]1[CH2:32][CH2:33][N:34]([C:37]([CH3:38])=[O:39])[CH2:35][CH2:36]1

참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 6367Acetyl chlorideHCID 684671025-fluoro-2-phenoxymethyl-6-piperazin-1-yl-1-(4-trifluoromethoxy-benzyl)-1H-benzoimidazole

생성물 1

HCID 684646421-{4-[6-Fluoro-2-phenoxymethyl-3-(4-trifluoromethoxy-benzyl)-3H-benzoimidazol-5-yl]-piperazin-1-yl}-ethanone

출처 및 근거

ORD 기록
ord-70d956991399489789341ec782630c06
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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