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Potassium Cation → 5-{[1-(2-tert-butoxyethyl)piperidin-4-yl]oxy}-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4(3H)-one

HRID 178105
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HRID 178105 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][CH2:6][CH2:7][N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[c:16]3[c:17](=[O:26])[nH:18][cH:19][n:20][c:21]3[cH:22][c:23]([F:25])[cH:24]2)[CH2:12][CH2:13]1.[CH3:27][N:28]1[CH2:29][CH2:30][N:31]([CH2:34][CH2:35][CH2:36][OH:37])[CH2:32][CH2:33]1.[CH3:38][C:39]([CH3:40])([O-:41])[CH3:42].[CH3:44][O:45][CH2:46][CH2:47][O:48][CH2:49][CH2:50][O:51][CH3:52].[Cl:53][CH2:54][Cl:55].[K+:43].[OH2:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][CH2:6][CH2:7][N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[c:16]3[c:17](=[O:26])[nH:18][cH:19][n:20][c:21]3[cH:22][c:23]([O:37][CH2:36][CH2:35][CH2:34][N:31]3[CH2:30][CH2:29][N:28]([CH3:27])[CH2:33][CH2:32]3)[cH:24]2)[CH2:12][CH2:13]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium CationHCID 962WaterHCID 6344DichloromethaneHCID 8150DiglymeHCID 792083-(4-Methyl-1-piperazine)propan-1-olHCID 45749132-Methylpropan-2-olateHCID 1363519525-{[1-(2-tert-butoxyethyl)piperidin-4-yl]oxy}-7-fluoroquinazolin-4(3H)-one

생성물

1
HCID 1363519515-{[1-(2-tert-butoxyethyl)piperidin-4-yl]oxy}-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4(3H)-one

출처 및 근거

ORD 기록
ord-6332ddae23b3404d98e6d6124af76c28
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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