N,N,2,2-Tetramethylpropane-1,3-diamine → 4'-Fluoro-2'-methyl-biphenyl-3-carboxylic acid{4-[2-(3-dimethylamino-2,2-dimethyl-propylamino)-pyrimidin-4-yloxy]-naphthalen-1-yl}-amide

반응식

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

참가 물질

반응물 2

HCID 104477N,N,2,2-Tetramethylpropane-1,3-diamine

HCID 595531874'-Fluoro-2'-methyl-biphenyl-3-carboxylic acid [4-(2-methylsulfanylpyrimidin-4-yloxy)-naphthalen-1-yl]-amide

생성물 1

HCID 595531534'-Fluoro-2'-methyl-biphenyl-3-carboxylic acid{4-[2-(3-dimethylamino-2,2-dimethyl-propylamino)-pyrimidin-4-yloxy]-naphthalen-1-yl}-amide

출처 및 근거

ORD 기록: ord-f5d978e5a2fc46b8ab0c04023bccbc81
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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