Dimethyl-morpholin-2-ylmethyl-amine → 5-[1-(2,4-Bis-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-(2-dimethylaminomethyl-morpholin-4-yl)-thiazol-4-one

HRID 1145960

반응식

HRID 1145960 반응식
[CH3:35][N:36]([CH2:37][CH:38]1[O:39][CH2:40][CH2:41][NH:42][CH2:43]1)[CH3:44].[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:24])[N:18]=[C:19]([S:21][CH2:22][CH3:23])[S:20]4)[cH:12][cH:13][c:14]23)[cH:25][cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1)([F:33])[F:34]>>[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:24])[N:18]=[C:19]([N:42]5[CH2:41][CH2:40][O:39][CH:38]([CH2:37][N:36]([CH3:35])[CH3:44])[CH2:43]5)[S:20]4)[cH:12][cH:13][c:14]23)[cH:25][cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1)([F:33])[F:34]

참가 물질

3

반응물 2

HCID 3401489Dimethyl-morpholin-2-ylmethyl-amineHCID 866545405-[1-(2,4-Bis-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-ethylsulfanyl-thiazol-4-one

생성물 1

HCID 767563135-[1-(2,4-Bis-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-(2-dimethylaminomethyl-morpholin-4-yl)-thiazol-4-one

출처 및 근거

ORD 기록
ord-62e174a5041b4ff980a2a48cfc67ea0f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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