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N-(3-Fluoro-4-(thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide → 2-(2,6-Dichlorophenyl)-N-(3-fluoro-4-(thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)acetamide

HRID 109528
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HRID 109528 반응식
[CH2:1]([n:2]1[c:3]2[n:4][cH:5][n:6][c:7]([O:8][c:9]3[cH:10][cH:11][c:12]([NH:13][C:14]([NH:15][C:16](=[O:17])[CH2:18][c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)=[S:25])[cH:26][c:27]3[F:28])[c:29]2[cH:30][cH:31]1)[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Cl:68][c:69]1[c:70]([CH2:76][C:77](=[O:78])[N:79]=[C:80]=[S:81])[c:71]([Cl:75])[cH:72][cH:73][cH:74]1.[F:38][c:39]1[cH:40][c:41]([NH:55][C:56]([NH:57][C:58](=[O:59])[CH2:60][c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)=[S:67])[cH:42][cH:43][c:44]1[O:45][c:46]1[c:47]2[c:48]([n:49][cH:50][cH:51]1)[cH:52][cH:53][s:54]2>>[F:38][c:39]1[cH:40][c:41]([NH:55][C:80]([NH:79][C:77]([CH2:76][c:70]2[c:69]([Cl:68])[cH:74][cH:73][cH:72][c:71]2[Cl:75])=[O:78])=[S:81])[cH:42][cH:43][c:44]1[O:45][c:46]1[c:47]2[c:48]([n:49][cH:50][cH:51]1)[cH:52][cH:53][s:54]2
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반응물 3

HCID 24901699N-(3-Fluoro-4-(thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamideHCID 594244392-(2,6-Dichlorophenyl)acetyl isothiocyanateHCID 866096601-(4-(7-Benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-3-fluorophenyl)-3-(2-phenylacetyl)thiourea

생성물 1

HCID 866041802-(2,6-Dichlorophenyl)-N-(3-fluoro-4-(thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)acetamide

출처 및 근거

ORD 기록
ord-11e9f6666e0e4d0292e952194391abe7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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