1-Methyl-4-(methylamino)piperidine → 5-[1-(4-Chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-[methyl-(1-methyl-piperidin-4-yl)-amino]-thiazol-4-one

HRID 175760

반응식

HRID 175760 반응식
[CH3:32][NH:33][CH:34]1[CH2:35][CH2:36][N:37]([CH3:40])[CH2:38][CH2:39]1.[Cl:1][c:2]1[cH:3][c:4]([C:28]([F:29])([F:30])[F:31])[c:5]([CH2:6][n:7]2[n:8][cH:9][c:10]3[cH:11][c:12]([CH:16]=[C:17]4[C:18](=[O:25])[NH:19][CH:20]([S:22][CH2:23][CH3:24])[S:21]4)[cH:13][cH:14][c:15]23)[cH:26][cH:27]1>>[Cl:1][c:2]1[cH:3][c:4]([C:28]([F:29])([F:30])[F:31])[c:5]([CH2:6][n:7]2[n:8][cH:9][c:10]3[cH:11][c:12]([CH:16]=[C:17]4[C:18](=[O:25])[N:19]=[C:20]([N:33]([CH3:32])[CH:34]5[CH2:35][CH2:36][N:37]([CH3:40])[CH2:38][CH2:39]5)[S:21]4)[cH:13][cH:14][c:15]23)[cH:26][cH:27]1

참가 물질

3

반응물 2

HCID 5663231-Methyl-4-(methylamino)piperidineHCID 866565235-[1-(4-chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-ethylsulfanyl-thiazolidin-4-one

생성물 1

HCID 673458705-[1-(4-Chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-[methyl-(1-methyl-piperidin-4-yl)-amino]-thiazol-4-one

출처 및 근거

ORD 기록
ord-e0118b8d5ead46199bf3381eb9a84b37
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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