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Potassium Cation → 3-(2-(4-(3-chlorophenyl)piperazin-1-yl)-2-oxoethyl)-5-methyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-4(3H)-one

HRID 2126504
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HRID 2126504 반응식
[CH3:1][c:2]1[c:3]([C:12](=[O:13])[N:14]2[CH2:15][CH2:16][CH2:17][CH2:18]2)[s:4][c:5]2[n:6][cH:7][nH:8][c:9](=[O:11])[c:10]12.[CH3:42][C:43]#[N:44].[Cl:25][CH2:26][C:27](=[O:28])[N:29]1[CH2:30][CH2:31][N:32]([c:35]2[cH:36][c:37]([Cl:41])[cH:38][cH:39][cH:40]2)[CH2:33][CH2:34]1.[K+:19].[K+:20].[O-:21][C:22]([O-:23])=[O:24]>>[CH3:1][c:2]1[c:3]([C:12](=[O:13])[N:14]2[CH2:15][CH2:16][CH2:17][CH2:18]2)[s:4][c:5]2[n:6][cH:7][n:8]([CH2:26][C:27](=[O:28])[N:29]3[CH2:30][CH2:31][N:32]([c:35]4[cH:36][c:37]([Cl:41])[cH:38][cH:39][cH:40]4)[CH2:33][CH2:34]3)[c:9](=[O:11])[c:10]12
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참가 물질

6

반응물 5

HCID 813Potassium Cation2회HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 41653802-Chloro-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-oneHCID 598428315-methyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-4(3H)-one

생성물 1

HCID 59842840
3-(2-(4-(3-chlorophenyl)piperazin-1-yl)-2-oxoethyl)-5-methyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-4(3H)-one

출처 및 근거

ORD 기록
ord-d8c85eabbfba414e84cbb0cfc8d5719b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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