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Water → [3,5-bis(trifluoromethyl)phenyl]-[2-(1H-indol-3-ylmethyl)-4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperazin-1-yl]methanone

HRID 293515
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HRID 293515 반응식
[CH2:1]1[CH2:2][O:3][C:4]([CH3:5])([CH2:6][CH2:7][CH2:8][Cl:9])[O:10]1.[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH2:48][CH3:49])([CH3:50])[CH3:51].[F:11][C:12]([c:13]1[cH:14][c:15]([C:16](=[O:17])[N:18]2[CH:19]([CH2:24][c:25]3[cH:26][nH:27][c:28]4[cH:29][cH:30][cH:31][cH:32][c:33]34)[CH2:20][NH:21][CH2:22][CH2:23]2)[cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]1)([F:41])[F:42].[OH2:57]>>[CH2:1]1[CH2:2][O:3][C:4]([CH3:5])([CH2:6][CH2:7][CH2:8][N:21]2[CH2:20][CH:19]([CH2:24][c:25]3[cH:26][nH:27][c:28]4[cH:29][cH:30][cH:31][cH:32][c:33]34)[N:18]([C:16]([c:15]3[cH:14][c:13]([C:12]([F:11])([F:41])[F:42])[cH:36][c:35]([C:37]([F:38])([F:39])[F:40])[cH:34]3)=[O:17])[CH2:23][CH2:22]2)[O:10]1
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참가 물질

6

반응물 5

HCID 962WaterHCID 6228DimethylformamideHCID 800792-(3-Chloropropyl)-2-methyl-1,3-dioxolaneHCID 81531DiisopropylethylamineHCID 21978777[3,5-bis(trifluoromethyl)phenyl]-[2-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone

생성물 1

HCID 21978772
[3,5-bis(trifluoromethyl)phenyl]-[2-(1H-indol-3-ylmethyl)-4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperazin-1-yl]methanone

출처 및 근거

ORD 기록
ord-e10b435a35cb4d2cbc8c205fd198f10e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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