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Potassium Cation → 5-Fluoro-3-(1-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}piperidin-4-ylmethyl)-1H-indole

HRID 1137534
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HRID 1137534 반응식
[C:1](=[O:2])([O-:3])[O-:4].[CH3:43][C:44]#[N:45].[Cl:26][CH2:27][CH2:28][N:29]1[CH2:30][CH2:31][N:32]([c:35]2[c:36]([O:41][CH3:42])[cH:37][cH:38][cH:39][cH:40]2)[CH2:33][CH2:34]1.[F:9][c:10]1[cH:11][c:12]2[c:13]([CH2:19][CH:20]3[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]3)[cH:14][nH:15][c:16]2[cH:17][cH:18]1.[I-:8].[K+:5].[K+:6].[K+:7].[OH2:46]>>[CH2:1]([N:23]1[CH2:22][CH2:21][CH:20]([CH2:19][c:13]2[c:12]3[cH:11][c:10]([F:9])[cH:18][cH:17][c:16]3[nH:15][cH:14]2)[CH2:25][CH2:24]1)[CH2:27][CH2:28][N:29]1[CH2:30][CH2:31][N:32]([c:35]2[c:36]([O:41][CH3:42])[cH:37][cH:38][cH:39][cH:40]2)[CH2:33][CH2:34]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium Cation3회HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 30165Iodide IonHCID 5956731-(2-Chloroethyl)-4-(2-methoxyphenyl)piperazineHCID 112877165-fluoro-3-[(4-piperidinyl)methyl]-1H-indole

생성물 1

HCID 98257145-Fluoro-3-(1-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}piperidin-4-ylmethyl)-1H-indole

출처 및 근거

ORD 기록
ord-99d71f82c41941ccb2abadbf69093db1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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