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Hydrochloric Acid → 3-amino-6-(4-(ethylsulfonyl)piperazin-1-yl)-N-methoxy-N-methylpyrazine-2-carboxamide

HRID 197594
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HRID 197594 반응식
[B-:34]([F:35])([F:36])([F:37])[F:38].[CH3:23][O:24][NH:25][CH3:26].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[ClH:22].[NH2:1][c:2]1[c:3]([C:19](=[O:20])[OH:21])[n:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[CH2:17][CH3:18])[CH2:12][CH2:13]2)[cH:6][n:7]1.[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:61].[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[NH2:1][c:2]1[c:3]([C:19](=[O:21])[N:25]([O:24][CH3:23])[CH3:26])[n:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[CH2:17][CH3:18])[CH2:12][CH2:13]2)[cH:6][n:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 14232N,O-DimethylhydroxylamineHCID 26255TetrafluoroborateHCID 130500O-benzotriazol-1-yl-tetramethyluronium
HCID 66744527
3-Amino-6-(4-(ethylsulfonyl)piperazin-1-yl)pyrazine-2-carboxylic acid

생성물 1

HCID 866620733-amino-6-(4-(ethylsulfonyl)piperazin-1-yl)-N-methoxy-N-methylpyrazine-2-carboxamide

출처 및 근거

ORD 기록
ord-912cafd6d41c4d52800449d4eefc074e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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