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Sodium Ion → N-[4-cyano-7-[3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazol-2-yl]methanesulfonamide

HRID 112126
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인쇄 미리보기

반응식

HRID 112126 반응식
[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:35][S:36]([Cl:37])(=[O:38])=[O:39].[Cl:42][CH2:43][Cl:44].[NH2:1][c:2]1[o:3][c:4]2[c:5]([n:6]1)[c:7]([C:26]#[N:27])[c:8]([CH3:25])[c:9](-[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[c:10]2[N:11]1[CH2:12][CH:13]([N:16]([CH3:17])[CH3:18])[CH2:14][CH2:15]1.[Na+:41].[OH-:40].[OH2:45]>>[NH:1]([c:2]1[o:3][c:4]2[c:5]([n:6]1)[c:7]([C:26]#[N:27])[c:8]([CH3:25])[c:9](-[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[c:10]2[N:11]1[CH2:12][CH:13]([N:16]([CH3:17])[CH3:18])[CH2:14][CH2:15]1)[S:36]([CH3:35])(=[O:38])=[O:39]
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참가 물질

8

반응물 7

HCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 68585166HCID 68585166, 화합물

생성물 1

HCID 77526453
N-[4-cyano-7-[3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazol-2-yl]methanesulfonamide

출처 및 근거

ORD 기록
ord-85738ea6a88f4357bd218490c77b0306
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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