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Dimethylformamide → 1-Ethyl-4-[2-(4-{1-[3-(trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl}phenoxy)ethyl]piperazin-2-one

HRID 1122369
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HRID 1122369 반응식
[CH2:43]([CH3:44])[N:45]1[C:46](=[O:51])[CH2:47][NH:48][CH2:49][CH2:50]1.[CH3:10][S:11]([O:12][CH2:15][CH2:16][O:17][c:18]1[cH:19][cH:20][c:21]([CH:24]2[CH2:25][CH2:26][N:27]([C:30]3=[N:35][n:34]4[c:33]([n:38][n:37][c:36]4[C:39]([F:40])([F:41])[F:42])[CH2:32][CH2:31]3)[CH2:28][CH2:29]2)[cH:22][cH:23]1)(=[O:13])=[O:14].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:57][CH2:58][Cl:59].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[CH2:15]([CH2:16][O:17][c:18]1[cH:19][cH:20][c:21]([CH:24]2[CH2:25][CH2:26][N:27]([C:30]3=[N:35][n:34]4[c:33]([n:38][n:37][c:36]4[C:39]([F:40])([F:41])[F:42])[CH2:32][CH2:31]3)[CH2:28][CH2:29]2)[cH:22][cH:23]1)[N:48]1[CH2:47][C:46](=[O:51])[N:45]([CH2:43][CH3:44])[CH2:50][CH2:49]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 98773661-Ethylpiperazin-2-oneHCID 866466972-(4-{1-[3-(Trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl}phenoxy)ethyl methanesulfonate

생성물 1

HCID 59542846
1-Ethyl-4-[2-(4-{1-[3-(trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl}phenoxy)ethyl]piperazin-2-one

출처 및 근거

ORD 기록
ord-8cc7a683774948d8b220c8bde36fe7aa
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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