7-piperazinyl-2-(pyridin-2-yl)methyl-2H-phthalazin-1-one → 2-(Pyridin-2-yl)methyl-7-[4-[3-[9-(2,2,2-trifluoroethylcarbamoyl)-9H-xanthen-9-yl]propyl]piperazin-1-yl]-2H-phthalazin-1-one

반응식

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

참가 물질

반응물 2

HCID 221802937-piperazinyl-2-(pyridin-2-yl)methyl-2H-phthalazin-1-one

HCID 221805833-[9-(2,2,2-Trifluoroethylcarbamoyl)-9H-xanthen-9-yl]propyl bromide

생성물 1

HCID 221804552-(Pyridin-2-yl)methyl-7-[4-[3-[9-(2,2,2-trifluoroethylcarbamoyl)-9H-xanthen-9-yl]propyl]piperazin-1-yl]-2H-phthalazin-1-one

출처 및 근거

ORD 기록: ord-f169edb20e984478b6a739d6fe50ebb3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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