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Hydrochloric Acid → 1-[(4-Aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enyl]piperazin-2-one

HRID 2156670
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반응식

HRID 2156670 반응식
[Br:22][CH2:23][CH:24]=[CH:25][c:26]1[s:27][c:28]([Cl:31])[cH:29][cH:30]1.[C:50](#[N:51])[CH3:52].[ClH:1].[ClH:2].[K+:32].[K+:33].[NH2:3][c:4]1[n:5][cH:6][n:7][c:8]2[cH:9][c:10]([CH2:14][N:15]3[C:16](=[O:21])[CH2:17][NH:18][CH2:19][CH2:20]3)[cH:11][cH:12][c:13]12.[O-:34][C:35]([O-:36])=[O:37].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:53].[OH:38][C:39]([C:40]([F:41])([F:42])[F:43])=[O:44]>>[NH2:3][c:4]1[n:5][cH:6][n:7][c:8]2[cH:9][c:10]([CH2:14][N:15]3[C:16](=[O:21])[CH2:17][N:18]([CH2:23][CH:24]=[CH:25][c:26]4[s:27][c:28]([Cl:31])[cH:29][cH:30]4)[CH2:19][CH2:20]3)[cH:11][cH:12][c:13]12
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 313Hydrochloric Acid2회HCID 813Potassium Cation2회HCID 962WaterHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 19660Carbonate Ion
HCID 17985174
1-(4-Aminoquinazoline-7-ylmethyl)piperazine-2-one
HCID 537995313-(5-Chlorothiophen-2-yl)allyl bromide

생성물 1

HCID 540997161-[(4-Aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enyl]piperazin-2-one

출처 및 근거

ORD 기록
ord-7d604ea1aece4d448d07b1dab7146ffc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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