Acetonitrile → 1-(2-[4-(2-[2,2,2-Trifluoroethyl]guanidino)pyrimid-2-yl-methylthio]ethylamino)-1-methylamino-2-nitroethylene

HRID 1552596

반응식

HRID 1552596 반응식
[CH3:21][NH:22][C:23](=[CH:24][N+:25](=[O:26])[O-:27])[S:28][CH3:29].[CH3:30][C:31]#[N:32].[F:1][C:2]([CH2:3][N:4]=[C:5]([NH:6][c:7]1[n:8][c:9]([CH2:13][S:14][CH2:15][CH2:16][NH2:17])[n:10][cH:11][cH:12]1)[NH2:18])([F:19])[F:20]>>[F:1][C:2]([CH2:3][N:4]=[C:5]([NH:6][c:7]1[n:8][c:9]([CH2:13][S:14][CH2:15][CH2:16][NH:17][C:23]([NH:22][CH3:21])=[CH:24][N+:25](=[O:26])[O-:27])[n:10][cH:11][cH:12]1)[NH2:18])([F:19])[F:20]

참가 물질

4

반응물 3

HCID 6342AcetonitrileHCID 1235491-Methylthio-1-methylamino-2-nitroethyleneHCID 212987204-[2-(2,2,2-Trifluoroethyl)guanidino]-2-(2-aminoethyl)thiomethylpyrimidine

생성물 1

HCID 704186461-(2-[4-(2-[2,2,2-Trifluoroethyl]guanidino)pyrimid-2-yl-methylthio]ethylamino)-1-methylamino-2-nitroethylene

출처 및 근거

ORD 기록
ord-ffccbdfa6cce4e149a5237f36d35aeb0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

연결된 노트

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