1-(2-Ethoxyethyl)piperazine → 5-[1-(2,4-Bis-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-[4-(2-ethoxy-ethyl)-piperazin-1-yl]-thiazol-4-one

HRID 1229935

반응식

HRID 1229935 반응식
[CH2:34]([CH3:35])[O:36][CH2:37][CH2:38][N:39]1[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]1.[F:1][C:2]([c:3]1[c:4]([CH2:5][n:6]2[n:7][cH:8][c:9]3[cH:10][c:11]([CH:15]=[C:16]4[C:17](=[O:23])[N:18]=[C:19]([S:21][CH3:22])[S:20]4)[cH:12][cH:13][c:14]23)[cH:24][cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33]>>[F:1][C:2]([c:3]1[c:4]([CH2:5][n:6]2[n:7][cH:8][c:9]3[cH:10][c:11]([CH:15]=[C:16]4[C:17](=[O:23])[N:18]=[C:19]([N:42]5[CH2:41][CH2:40][N:39]([CH2:38][CH2:37][O:36][CH2:34][CH3:35])[CH2:44][CH2:43]5)[S:20]4)[cH:12][cH:13][c:14]23)[cH:24][cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33]

참가 물질

3

반응물 2

HCID 27346431-(2-Ethoxyethyl)piperazineHCID 866545435-[1-(2,4-bis-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]2-methylsulfanyl-thiazol-4-one

생성물 1

HCID 866545695-[1-(2,4-Bis-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-[4-(2-ethoxy-ethyl)-piperazin-1-yl]-thiazol-4-one

출처 및 근거

ORD 기록
ord-2113b14a4b094bc6be0692b0cecbacc6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

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