1,4-Dioxane → 1-(3-Chlorophenyl)-3-(2-phenyl-1-(pyridin-2-yl)-1-(3-(trifluoromethyl)phenyl)ethyl)thiourea

반응식

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

참가 물질

반응물 3

HCID 312751,4-Dioxane

HCID 754493-Chlorophenyl isothiocyanate

HCID 669345531-(Pyridin-2-yl)-1-(3-(trifluoromethyl)phenyl)-2-phenylethanamine

생성물 1

HCID 589202741-(3-Chlorophenyl)-3-(2-phenyl-1-(pyridin-2-yl)-1-(3-(trifluoromethyl)phenyl)ethyl)thiourea

출처 및 근거

ORD 기록: ord-33cf17ce2a4647fab1473cd0907afd7f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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