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Potassium Cation → 2-[2-(3-chloro-4-fluorophenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)-4H-quinazolin-3-yl]-N-isopropylacetamide

HRID 163980
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HRID 163980 반응식
[CH2:38]1[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1.[CH3:46][C:47]#[N:48].[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][c:11]3[cH:12][cH:13][c:14]([O:27][CH2:28][CH2:29][CH2:30][Cl:31])[cH:15][c:16]3[c:17](=[O:26])[n:18]2[CH2:19][C:20](=[O:21])[NH:22][CH:23]([CH3:24])[CH3:25])[cH:5][cH:6][c:7]1[F:8].[I-:45].[K+:32].[K+:33].[Na+:44].[O-:34][C:35]([O-:36])=[O:37].[OH2:49]>>[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][c:11]3[cH:12][cH:13][c:14]([O:27][CH2:28][CH2:29][CH2:30][N:41]4[CH2:40][CH2:39][CH2:38][CH2:43][CH2:42]4)[cH:15][c:16]3[c:17](=[O:26])[n:18]2[CH2:19][C:20](=[O:21])[NH:22][CH:23]([CH3:24])[CH3:25])[cH:5][cH:6][c:7]1[F:8]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 813Potassium Cation2회HCID 923Sodium IonHCID 962WaterHCID 6342AcetonitrileHCID 8082PiperidineHCID 19660Carbonate IonHCID 30165Iodide Ion
HCID 59511780
2-[2-(3-chloro-4-fluorophenyl)-6-(3-chloropropoxy)-4-oxo-4H-quinazolin-3-yl]-N-isopropylacetamide

생성물 1

HCID 118545042-[2-(3-chloro-4-fluorophenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)-4H-quinazolin-3-yl]-N-isopropylacetamide

출처 및 근거

ORD 기록
ord-1d921e58816f4755aec73e815eedf179
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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