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Methanol → 1-(4-(2-(Methylsulfonyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-3-(2-phenylacetyl)thiourea

HRID 2338745
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반응식

HRID 2338745 반응식
[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7]2[n:8][cH:9][cH:10][c:11]([O:14][c:15]3[c:16]([F:22])[cH:17][c:18]([NH2:21])[cH:19][cH:20]3)[c:12]2[s:13]1.[CH3:40][OH:41].[c:23]1([CH2:29][C:30](=[O:31])[N:32]=[C:33]=[S:34])[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7]2[n:8][cH:9][cH:10][c:11]([O:14][c:15]3[c:16]([F:22])[cH:17][c:18]([NH:21][C:33]([NH:32][C:30]([CH2:29][c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)=[O:31])=[S:34])[cH:19][cH:20]3)[c:12]2[s:13]1
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반응물 4

HCID 887MethanolHCID 8028TetrahydrofuranHCID 12454157Phenylacetyl isothiocyanateHCID 594245404-(2-(Methylsulfonyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorobenzenamine

생성물 1

HCID 594245901-(4-(2-(Methylsulfonyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-3-(2-phenylacetyl)thiourea

출처 및 근거

ORD 기록
ord-cef631eb475f41098a0d4daf5712a2a3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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