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Sodium Ion → 3,4-Dichloro-5-methyl-N-{1-[2-(methylthio)pyrimidin-4-yl]piperidin-4-yl}-1H-pyrrole-2-carboxamide

HRID 1563925
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HRID 1563925 반응식
[CH3:25][S-:26].[CH3:33][CH2:34][O:35][C:36]([CH3:37])=[O:38].[Cl:1][c:2]1[c:3]([C:9](=[O:10])[NH:11][CH:12]2[CH2:13][CH2:14][N:15]([c:18]3[n:19][c:20]([Cl:24])[n:21][cH:22][cH:23]3)[CH2:16][CH2:17]2)[nH:4][c:5]([CH3:8])[c:6]1[Cl:7].[Na+:27].[O:28]=[CH:29][N:30]([CH3:31])[CH3:32].[OH2:39]>>[Cl:1][c:2]1[c:3]([C:9](=[O:10])[NH:11][CH:12]2[CH2:13][CH2:14][N:15]([c:18]3[n:19][c:20]([S:26][CH3:25])[n:21][cH:22][cH:23]3)[CH2:16][CH2:17]2)[nH:4][c:5]([CH3:8])[c:6]1[Cl:7]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 519392MercaptomethanideHCID 866083433,4-Dichloro-N-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-5-methyl-1H-pyrrole-2-carboxamide

생성물 1

HCID 685798923,4-Dichloro-5-methyl-N-{1-[2-(methylthio)pyrimidin-4-yl]piperidin-4-yl}-1H-pyrrole-2-carboxamide

출처 및 근거

ORD 기록
ord-9b2194251daf40e2b846807d1db75c21
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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