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Hydrochloric Acid → 3-amino-6-(4-ethylsulfonylpiperazin-1-yl)-N-phenacyl-pyrazine-2-carboxamide

HRID 94283
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HRID 94283 반응식
[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:42][CH2:43][Cl:44].[ClH:1].[NH2:12][c:13]1[c:14]([C:30](=[O:31])[OH:32])[n:15][c:16]([N:19]2[CH2:20][CH2:21][N:22]([S:25](=[O:26])(=[O:27])[CH2:28][CH3:29])[CH2:23][CH2:24]2)[cH:17][n:18]1.[NH2:2][CH2:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:56]>>[NH:2]([CH2:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[C:30]([c:14]1[c:13]([NH2:12])[n:18][cH:17][c:16]([N:19]2[CH2:20][CH2:21][N:22]([S:25](=[O:26])(=[O:27])[CH2:28][CH3:29])[CH2:23][CH2:24]2)[n:15]1)=[O:31]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 11952PhenacylamineHCID 81531Diisopropylethylamine
HCID 66744527
3-Amino-6-(4-(ethylsulfonyl)piperazin-1-yl)pyrazine-2-carboxylic acid

생성물 1

HCID 667454513-amino-6-(4-ethylsulfonylpiperazin-1-yl)-N-phenacyl-pyrazine-2-carboxamide

출처 및 근거

ORD 기록
ord-b69cfdcf5b4446ec917cce597b379146
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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